2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine

C15H22ClN — CID 79441644

IUPAC2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(CC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-17-11-14(10-12-4-2-3-5-12)13-6-8-15(16)9-7-13/h6-9,12,14,17H,2-5,10-11H2,1H3
InChIKeyQGYHONPDXFESPT-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine

2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine (PubChem CID 79441644) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
PubChem CID79441644
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(CC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-17-11-14(10-12-4-2-3-5-12)13-6-8-15(16)9-7-13/h6-9,12,14,17H,2-5,10-11H2,1H3
InChIKeyQGYHONPDXFESPT-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 134419979
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
CID 79442884
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433827
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine (CID 79441644) is 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine is CNCC(CC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is QGYHONPDXFESPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-17-11-14(10-12-4-2-3-5-12)13-6-8-15(16)9-7-13/h6-9,12,14,17H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine?
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 79441644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).