2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine

C15H22ClN — CID 65411591

IUPAC2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClN/c1-2-11-6-7-13(8-11)15(17)10-12-4-3-5-14(16)9-12/h3-5,9,11,13,15H,2,6-8,10,17H2,1H3
InChIKeyZBVYHDQFMDERDI-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine

2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine (PubChem CID 65411591) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
PubChem CID65411591
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClN/c1-2-11-6-7-13(8-11)15(17)10-12-4-3-5-14(16)9-12/h3-5,9,11,13,15H,2,6-8,10,17H2,1H3
InChIKeyZBVYHDQFMDERDI-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 64776038
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
4-[2-amino-2-(3-ethylcyclohexyl)ethyl]pyridin-2-amine
CID 65412909
1-(3-ethylcyclopentyl)propan-1-amine
CID 65410017

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine (CID 65411591) is 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine is CCC1CCC(C(N)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The InChIKey is ZBVYHDQFMDERDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-2-11-6-7-13(8-11)15(17)10-12-4-3-5-14(16)9-12/h3-5,9,11,13,15H,2,6-8,10,17H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 65411591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).