2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile

C13H15BrN2 — CID 61002469

IUPAC2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H15BrN2/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6H2
InChIKeyORQRKDNJPMFIHL-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.55
Rot. Bonds3

About 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile

2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile (PubChem CID 61002469) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
PubChem CID61002469
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H15BrN2/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6H2
InChIKeyORQRKDNJPMFIHL-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-(cyclopentylamino)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

2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227
2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151503
2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816919
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetonitrile
CID 61346638
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
CID 84816951
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile?
The IUPAC name of 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile (CID 61002469) is 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile is N#CC(NC1CCCC1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile?
The InChIKey is ORQRKDNJPMFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6H2.
What are the key properties of 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile?
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile has a molecular weight of 279.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile is sourced from PubChem (CID 61002469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).