2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile

C18H18N2 — CID 43433077

IUPAC2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
SMILESCc1ccc(C(Nc2ccccc2C#N)C2CC2)cc1
InChIInChI=1S/C18H18N2/c1-13-6-8-14(9-7-13)18(15-10-11-15)20-17-5-3-2-4-16(17)12-19/h2-9,15,18,20H,10-11H2,1H3
InChIKeyVLMADKPSXXNIOG-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.43
Rot. Bonds4

About 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile

2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile (PubChem CID 43433077) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
PubChem CID43433077
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
SMILESCc1ccc(C(Nc2ccccc2C#N)C2CC2)cc1
InChIInChI=1S/C18H18N2/c1-13-6-8-14(9-7-13)18(15-10-11-15)20-17-5-3-2-4-16(17)12-19/h2-9,15,18,20H,10-11H2,1H3
InChIKeyVLMADKPSXXNIOG-UHFFFAOYSA-N
XLogP4.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]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

4-chloro-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
CID 43780543
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-nitroaniline
CID 32806144
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-6-fluorobenzonitrile
CID 43222298
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2,5-difluoroaniline
CID 107609519
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-nitroaniline
CID 43785510
2-bromo-5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 104722918
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile?
The IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile (CID 43433077) is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile.
What is the SMILES notation for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile?
The canonical SMILES for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile is Cc1ccc(C(Nc2ccccc2C#N)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile?
The InChIKey is VLMADKPSXXNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-6-8-14(9-7-13)18(15-10-11-15)20-17-5-3-2-4-16(17)12-19/h2-9,15,18,20H,10-11H2,1H3.
What are the key properties of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile?
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile is sourced from PubChem (CID 43433077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).