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

C16H24ClN — CID 79441863

IUPAC2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNCC(CC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-2-18-12-15(11-13-5-3-4-6-13)14-7-9-16(17)10-8-14/h7-10,13,15,18H,2-6,11-12H2,1H3
InChIKeyDPCPKYWZRHBBJT-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds6

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

2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 79441863) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
PubChem CID79441863
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNCC(CC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-2-18-12-15(11-13-5-3-4-6-13)14-7-9-16(17)10-8-14/h7-10,13,15,18H,2-6,11-12H2,1H3
InChIKeyDPCPKYWZRHBBJT-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
CID 142142962
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine (CID 79441863) is 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine is CCNCC(CC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is DPCPKYWZRHBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-18-12-15(11-13-5-3-4-6-13)14-7-9-16(17)10-8-14/h7-10,13,15,18H,2-6,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 6 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-ethylpropan-1-amine is sourced from PubChem (CID 79441863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).