Responsive image

Common name

(2R)-N-methyl-1-(1-methylindolin-5-yl)propan-2-amine

IUPAC name

(2R)-N-methyl-1-(1-methylindolin-5-yl)propan-2-amine

SMILES

C(C)(Cc1cc2c(cc1)N(CC2)C)NC

Common name

(2R)-N-methyl-1-(1-methylindolin-5-yl)propan-2-amine

IUPAC name

(2R)-N-methyl-1-(1-methylindolin-5-yl)propan-2-amine

SMILES

C(C)(Cc1cc2c(cc1)N(CC2)C)NC

INCHI

InChI=1S/C13H20N2/c1-10(14-2)8-11-4-5-13-12(9-11)6-7-15(13)3/h4-5,9-10,14H,6-8H2,1-3H3/t10-/m1/s1

FORMULA

C13H20N2

Responsive image

Common name

(2R)-N-methyl-1-(1-methylindolin-5-yl)propan-2-amine

IUPAC name

(2R)-N-methyl-1-(1-methylindolin-5-yl)propan-2-amine





Molecular weight

204.311

clogP

2.593

clogS

-3.503

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

15.27

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01385 Silodosin Responsive image Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; Treatment for symptomatic relief of benign prostatic hyperplasia .
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3bl1_ligand_frag_3.mol2 3bl1 0.826087 -6.04 N1[C@H](Cc2c1cccc2)C 10
3cp9_ligand_frag_2.mol2 3cp9 0.820896 -7.13 c1ccc2c(c1)NCC2(C)C 11
3bkl_ligand_1_0.mol2 3bkl 0.820896 -6.77 c12ccccc1NC[C@@H]2C 10
1tmn_ligand_1_5.mol2 1tmn 0.820896 -6.22 [C@@H]1(CNc2c1cccc2)C 10
2ovz_ligand_1_0.mol2 2ovz 0.820896 -5.86 C[C@H]1c2ccccc2NC1 10
2ovz_ligand_2_0.mol2 2ovz 0.816901 -5.93 C([C@H]1c2ccccc2NC1)C 11
1tmn_ligand_frag_10.mol2 1tmn 0.80597 -5.96 C1CNc2c1cccc2 9
5ald_ligand.mol2 5ald 0.75 -8.78 c1cc2c(cc1C1CCCCC1)CC(=O)N2 17
100 , 11