3-(anilinomethyl)-N-cyclopropylaniline

C16H18N2 — CID 143695997

IUPAC3-(anilinomethyl)-N-cyclopropylaniline
SMILESc1ccc(NCc2cccc(NC3CC3)c2)cc1
InChIInChI=1S/C16H18N2/c1-2-6-14(7-3-1)17-12-13-5-4-8-16(11-13)18-15-9-10-15/h1-8,11,15,17-18H,9-10,12H2
InChIKeyPUCHOGDSVFFSOC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.87
Rot. Bonds5

About 3-(anilinomethyl)-N-cyclopropylaniline

3-(anilinomethyl)-N-cyclopropylaniline (PubChem CID 143695997) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(anilinomethyl)-N-cyclopropylaniline.

Molecular Properties

Compound Name3-(anilinomethyl)-N-cyclopropylaniline
PubChem CID143695997
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-(anilinomethyl)-N-cyclopropylaniline
SMILESc1ccc(NCc2cccc(NC3CC3)c2)cc1
InChIInChI=1S/C16H18N2/c1-2-6-14(7-3-1)17-12-13-5-4-8-16(11-13)18-15-9-10-15/h1-8,11,15,17-18H,9-10,12H2
InChIKeyPUCHOGDSVFFSOC-UHFFFAOYSA-N
XLogP3.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(anilinomethyl)-N-cyclopropylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline
CID 68803252
[3-(cyclopropylamino)phenyl]methanethiol
CID 163530341
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
CID 68942507
N-cyclopropylaniline;hydrochloride
CID 44717153
CID 163931246
CID 163931246
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-cyclohexyl-3-ethylaniline
CID 11009024
3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline
CID 59542647
[3-[(3-phenylcyclobutyl)amino]phenyl]methanol
CID 43715189
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
3-(anilinomethyl)benzaldehyde
CID 87371298

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-N-cyclopropylaniline?
The IUPAC name of 3-(anilinomethyl)-N-cyclopropylaniline (CID 143695997) is 3-(anilinomethyl)-N-cyclopropylaniline.
What is the SMILES notation for 3-(anilinomethyl)-N-cyclopropylaniline?
The canonical SMILES for 3-(anilinomethyl)-N-cyclopropylaniline is c1ccc(NCc2cccc(NC3CC3)c2)cc1.
What is the InChIKey of 3-(anilinomethyl)-N-cyclopropylaniline?
The InChIKey is PUCHOGDSVFFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-14(7-3-1)17-12-13-5-4-8-16(11-13)18-15-9-10-15/h1-8,11,15,17-18H,9-10,12H2.
What are the key properties of 3-(anilinomethyl)-N-cyclopropylaniline?
3-(anilinomethyl)-N-cyclopropylaniline has a molecular weight of 238.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-N-cyclopropylaniline is sourced from PubChem (CID 143695997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).