Responsive image

Common name

N,N-diethyl-4-methyl-aniline

IUPAC name

N,N-diethyl-4-methyl-aniline

SMILES

c1cc(ccc1N(CC)CC)C

Common name

N,N-diethyl-4-methyl-aniline

IUPAC name

N,N-diethyl-4-methyl-aniline

SMILES

c1cc(ccc1N(CC)CC)C

INCHI

InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

FORMULA

C11H17N

Responsive image

Common name

N,N-diethyl-4-methyl-aniline

IUPAC name

N,N-diethyl-4-methyl-aniline





Molecular weight

163.259

clogP

2.569

clogS

-3.089

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01705 Isosulfan blue Responsive image ;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4hj2_ligand_5_6133.mol2 4hj2 0.966667 -6.93 CN(CC)c1ccc(cc1)C 11
4awo_ligand_2_1.mol2 4awo 0.966667 -6.90 N(c1ccc(cc1)C)CC 10
4hj2_ligand_4_2316.mol2 4hj2 0.966667 -6.87 CCNc1ccc(cc1)C 10
4k3h_ligand_2_5.mol2 4k3h 0.833333 -7.28 c1(ccc(cc1)N(C)C)C 10
4k3h_ligand_2_8.mol2 4k3h 0.833333 -7.25 c1(ccc(cc1)N(C)C)C 10
4hj2_ligand_4_2346.mol2 4hj2 0.833333 -6.68 CN(C)c1ccc(cc1)C 10
1lpg_ligand_2_22.mol2 1lpg 0.833333 -6.63 Cc1ccc(cc1)[N](C)(C)C 11
4hj2_ligand_3_651.mol2 4hj2 0.833333 -6.62 CNc1ccc(cc1)C 9
117 , 12