3-chloro-N,N-diphenylaniline

C18H14ClN — CID 2189355

IUPAC3-chloro-N,N-diphenylaniline
SMILESClc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C18H14ClN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKeyNMHRZASZFUNUJD-UHFFFAOYSA-N
MW279.77 g/mol
LogP5.81
Rot. Bonds3

About 3-chloro-N,N-diphenylaniline

3-chloro-N,N-diphenylaniline (PubChem CID 2189355) has the molecular formula C18H14ClN and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-chloro-N,N-diphenylaniline.

Molecular Properties

Compound Name3-chloro-N,N-diphenylaniline
PubChem CID2189355
Molecular FormulaC18H14ClN
Molecular Weight279.77 g/mol
Exact Mass279.08
IUPAC Name3-chloro-N,N-diphenylaniline
SMILESClc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C18H14ClN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKeyNMHRZASZFUNUJD-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.77
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diphenylaniline?
The IUPAC name of 3-chloro-N,N-diphenylaniline (CID 2189355) is 3-chloro-N,N-diphenylaniline.
What is the SMILES notation for 3-chloro-N,N-diphenylaniline?
The canonical SMILES for 3-chloro-N,N-diphenylaniline is Clc1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-chloro-N,N-diphenylaniline?
The InChIKey is NMHRZASZFUNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H.
What are the key properties of 3-chloro-N,N-diphenylaniline?
3-chloro-N,N-diphenylaniline has a molecular weight of 279.77 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diphenylaniline is sourced from PubChem (CID 2189355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).