2-[2-(cyclopentylamino)phenoxy]acetonitrile

C13H16N2O — CID 82932126

IUPAC2-[2-(cyclopentylamino)phenoxy]acetonitrile
SMILESN#CCOc1ccccc1NC1CCCC1
InChIInChI=1S/C13H16N2O/c14-9-10-16-13-8-4-3-7-12(13)15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,10H2
InChIKeySBJVXQPJRKMGMN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.94
Rot. Bonds4

About 2-[2-(cyclopentylamino)phenoxy]acetonitrile

2-[2-(cyclopentylamino)phenoxy]acetonitrile (PubChem CID 82932126) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)phenoxy]acetonitrile
PubChem CID82932126
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[2-(cyclopentylamino)phenoxy]acetonitrile
SMILESN#CCOc1ccccc1NC1CCCC1
InChIInChI=1S/C13H16N2O/c14-9-10-16-13-8-4-3-7-12(13)15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,10H2
InChIKeySBJVXQPJRKMGMN-UHFFFAOYSA-N
XLogP2.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(cyclopentylamino)phenoxy]acetonitrile 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

1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N-cyclohexyl-2-propoxyaniline
CID 43682292
2-(cyclopentylamino)benzonitrile
CID 10535560
N-cyclohexyl-2-[2-(1,1-dioxothietan-3-yl)ethoxy]aniline
CID 167888778
N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43369772
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenoxy]acetonitrile
CID 43369792
2-[2-[(oxan-4-ylamino)methyl]phenoxy]acetonitrile
CID 43778465
4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369751
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)phenoxy]acetonitrile?
The IUPAC name of 2-[2-(cyclopentylamino)phenoxy]acetonitrile (CID 82932126) is 2-[2-(cyclopentylamino)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(cyclopentylamino)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-(cyclopentylamino)phenoxy]acetonitrile is N#CCOc1ccccc1NC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylamino)phenoxy]acetonitrile?
The InChIKey is SBJVXQPJRKMGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-10-16-13-8-4-3-7-12(13)15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,10H2.
What are the key properties of 2-[2-(cyclopentylamino)phenoxy]acetonitrile?
2-[2-(cyclopentylamino)phenoxy]acetonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)phenoxy]acetonitrile is sourced from PubChem (CID 82932126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).