Common name
4-ethyl-N-methyl-aniline
IUPAC name
4-ethyl-N-methyl-aniline
SMILES
CNc1ccc(cc1)CC
Common name
4-ethyl-N-methyl-aniline
IUPAC name
4-ethyl-N-methyl-aniline
SMILES
CNc1ccc(cc1)CC
INCHI
InChI=1S/C9H13N/c1-3-8-4-6-9(10-2)7-5-8/h4-7,10H,3H2,1-2H3
FORMULA
C9H13N
Common name
4-ethyl-N-methyl-aniline
IUPAC name
4-ethyl-N-methyl-aniline
Molecular weight
135.206
clogP
2.312
clogS
-2.990
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00178 | Chlorambucil |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | For treatment of chronic lymphatic (lymphocytic) leukemia, childhood minimal-change nephrotic syndrome, and malignant lymphomas including lymphosarcoma, giant follicular lymphoma, Hodgkin's disease, non-Hodgkin's lymphomas, and Waldenström's Macroglobulinemia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_5_6170.mol2 | 4hj2 | 1 | -6.86 | CN(C)c1ccc(cc1)CC | 11 |
| 4hj2_ligand_4_2358.mol2 | 4hj2 | 1 | -6.80 | CNc1ccc(cc1)CC | 10 |
| 4hj2_ligand_4_2368.mol2 | 4hj2 | 1 | -6.77 | CNc1ccc(cc1)CC | 10 |
| 3btc_ligand.mol2 | 3btc | 0.885714 | -8.94 | C(c1ccccc1)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C | 26 |
| 3btl_ligand.mol2 | 3btl | 0.885714 | -8.62 | C(c1ccccc1)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C | 26 |
| 4hj2_ligand_6_12351.mol2 | 4hj2 | 0.885714 | -7.11 | CN(CC)c1ccc(cc1)CC | 12 |
| 4hj2_ligand_5_6145.mol2 | 4hj2 | 0.885714 | -7.06 | CCNc1ccc(cc1)CC | 11 |
| 4hcv_ligand_2_3.mol2 | 4hcv | 0.837838 | -7.58 | C(C)(C)c1ccc(NC=O)cc1 | 12 |
| 4hcu_ligand_2_3.mol2 | 4hcu | 0.837838 | -7.57 | c1cc(ccc1C(C)C)NC=O | 12 |
115 ,
12
