Responsive image

Common name

(E)-N-methyl-3-phenyl-prop-2-en-1-amine

IUPAC name

(E)-N-methyl-3-phenyl-prop-2-en-1-amine

SMILES

C(NC)C=Cc1ccccc1

Common name

(E)-N-methyl-3-phenyl-prop-2-en-1-amine

IUPAC name

(E)-N-methyl-3-phenyl-prop-2-en-1-amine

SMILES

C(NC)C=Cc1ccccc1

INCHI

InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+

FORMULA

C10H13N

Responsive image

Common name

(E)-N-methyl-3-phenyl-prop-2-en-1-amine

IUPAC name

(E)-N-methyl-3-phenyl-prop-2-en-1-amine





Molecular weight

147.217

clogP

2.343

clogS

-2.553

Frequency

0.0003





HBond Acceptor

0

HBond Donor

1

Total Polar
Surface Area

12.03

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00599 Naftifine Responsive image Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; For the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms .
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
5a3o_ligand_2_5.mol2 5a3o 0.804878 -5.45 c1(ccccc1)/C=C/C(=O)NC 12
2vd0_ligand_1_2.mol2 2vd0 0.7 -6.94 NC(=O)/C=C/c1ccccc1 11
5a3o_ligand_1_3.mol2 5a3o 0.7 -5.33 c1(ccccc1)/C=C/C(=O)N 11
1hv5_ligand_3_516.mol2 1hv5 0.666667 -7.31 C(=C\c1ccccc1)/C 9
106 , 11