2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile

C15H20N2O — CID 65340963

IUPAC2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
SMILESCOc1ccc(CNC2CCCC2C)cc1C#N
InChIInChI=1S/C15H20N2O/c1-11-4-3-5-14(11)17-10-12-6-7-15(18-2)13(8-12)9-16/h6-8,11,14,17H,3-5,10H2,1-2H3
InChIKeyVUUKMFLSBZTWAT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds4

About 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile

2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile (PubChem CID 65340963) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
PubChem CID65340963
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
SMILESCOc1ccc(CNC2CCCC2C)cc1C#N
InChIInChI=1S/C15H20N2O/c1-11-4-3-5-14(11)17-10-12-6-7-15(18-2)13(8-12)9-16/h6-8,11,14,17H,3-5,10H2,1-2H3
InChIKeyVUUKMFLSBZTWAT-UHFFFAOYSA-N
XLogP2.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-[[(2-methylcyclopentyl)amino]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-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile
CID 65341300
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 65021627
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 106787316
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile (CID 65340963) is 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile is COc1ccc(CNC2CCCC2C)cc1C#N.
What is the InChIKey of 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile?
The InChIKey is VUUKMFLSBZTWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-3-5-14(11)17-10-12-6-7-15(18-2)13(8-12)9-16/h6-8,11,14,17H,3-5,10H2,1-2H3.
What are the key properties of 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile?
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile is sourced from PubChem (CID 65340963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).