4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile

C18H18N2 — CID 79979512

IUPAC4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2cccc(C3CC3)c2)cc1
InChIInChI=1S/C18H18N2/c19-11-14-4-6-15(7-5-14)12-20-13-16-2-1-3-18(10-16)17-8-9-17/h1-7,10,17,20H,8-9,12-13H2
InChIKeyXERAWOSMSFQRAI-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.73
Rot. Bonds5

About 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile

4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile (PubChem CID 79979512) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile
PubChem CID79979512
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2cccc(C3CC3)c2)cc1
InChIInChI=1S/C18H18N2/c19-11-14-4-6-15(7-5-14)12-20-13-16-2-1-3-18(10-16)17-8-9-17/h1-7,10,17,20H,8-9,12-13H2
InChIKeyXERAWOSMSFQRAI-UHFFFAOYSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile 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-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide
CID 138502772
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
4-[[(3-propoxyphenyl)methylamino]methyl]benzonitrile
CID 60957812
4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]benzonitrile
CID 28643577
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile (CID 79979512) is 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile is N#Cc1ccc(CNCc2cccc(C3CC3)c2)cc1.
What is the InChIKey of 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile?
The InChIKey is XERAWOSMSFQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-11-14-4-6-15(7-5-14)12-20-13-16-2-1-3-18(10-16)17-8-9-17/h1-7,10,17,20H,8-9,12-13H2.
What are the key properties of 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile?
4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 79979512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).