
IUPAC name
methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine
SMILES
CC(CC1=CC=CC=C1)N(C)CC#C
Compound class
Antiparkinson Agents; Neuroprotective Agents; Monoamine Oxidase Inhibitors; Antidyskinetics; Dopaminergics; Nervous System; Antidepressants; Psychoanaleptics; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Monotherapy for initial treatment of Parkinson's disease, as well as an adjunct therapy in patients with a decreased response to levodopa/carbadopa. Also used for the palliative treatment of mild to moderate Alzheimer's disease and at higher doses, for the treatment of depression.
Common name
Selegiline
IUPAC name
methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine
SMILES
CC(CC1=CC=CC=C1)N(C)CC#C
INCHI
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
FORMULA
C13H17N

Common name
Selegiline
IUPAC name
methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine
Molecular weight
187.281
clogP
2.850
clogS
-2.693
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
3.24
Number of Rings
1
Rotatable Bond
5
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00005 | benzene |
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c1ccccc1 | 0.2824 |
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00068 | N-methylethanamine |
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N(CC)C | 0.0429 |
FDBF00193 | propylbenzene |
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C(c1ccccc1)CC | 0.0186 |
FDBF00289 | N,N-dimethylethanamine |
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C(C)N(C)C | 0.0299 |
FDBF00739 | N,N-dimethylpropan-2-amine |
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N(C)(C)C(C)C | 0.0058 |
FDBF02317 | N-methylprop-2-yn-1-amine |
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N(C)CC#C | 0.0010 |
FDBF02318 | N-ethyl-N-methyl-prop-2-yn-1-amine |
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C(C)N(C)CC#C | 0.0003 |
FDBF02319 | (2R)-N,N-dimethyl-1-phenyl-propan-2-amine |
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C(C)(N(C)C)Cc1ccccc1 | 0.0003 |
FDBF02320 | N-methyl-N-prop-2-ynyl-propan-2-amine |
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C(C)(N(C)CC#C)C | 0.0003 |