2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine

C15H22ClN — CID 114191843

IUPAC2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
SMILESCC(N)(CCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-15(17,11-10-12-4-2-3-5-12)13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11,17H2,1H3
InChIKeyKJZSFZFDOOIJFC-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine

2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine (PubChem CID 114191843) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
PubChem CID114191843
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
SMILESCC(N)(CCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-15(17,11-10-12-4-2-3-5-12)13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11,17H2,1H3
InChIKeyKJZSFZFDOOIJFC-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine 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-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302
2-(4-chlorophenyl)-1-cyclopentylpropan-2-ol
CID 65144991
1-cyclohexyl-2-(4-fluorophenyl)propan-2-amine
CID 62621993
2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192294
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
4-cyclopentyl-2-(4-iodophenyl)butan-2-ol
CID 114191831
2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65166677
4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
CID 114191696
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine (CID 114191843) is 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine is CC(N)(CCC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
The InChIKey is KJZSFZFDOOIJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-15(17,11-10-12-4-2-3-5-12)13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine has a molecular weight of 251.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine is sourced from PubChem (CID 114191843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).