Details of the Drug

General Information of Drug (ID: DMFM60H)

Drug Name

3,4'-(Ethane-1,2-diyl)dibenzenamine

Synonyms

CHEMBL1172396; 3,4'-Ethylenedianiline; BDBM50322062

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.29

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H16N2
IUPAC Name: 3-[2-(4-aminophenyl)ethyl]aniline
Canonical SMILES: C1=CC(=CC(=C1)N)CCC2=CC=C(C=C2)N
InChI: InChI=1S/C14H16N2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10H,4-5,15-16H2
InChIKey: INOLZHNXGZQKJJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.