1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine

C16H25N — CID 55097109

IUPAC1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)C2CCCC2)cc1
InChIInChI=1S/C16H25N/c1-12-8-10-16(11-9-12)14(3)17-13(2)15-6-4-5-7-15/h8-11,13-15,17H,4-7H2,1-3H3
InChIKeyYKPLDSHRBJMDJQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds4

About 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine

1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine (PubChem CID 55097109) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
PubChem CID55097109
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)C2CCCC2)cc1
InChIInChI=1S/C16H25N/c1-12-8-10-16(11-9-12)14(3)17-13(2)15-6-4-5-7-15/h8-11,13-15,17H,4-7H2,1-3H3
InChIKeyYKPLDSHRBJMDJQ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine (CID 55097109) is 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
The InChIKey is YKPLDSHRBJMDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-10-16(11-9-12)14(3)17-13(2)15-6-4-5-7-15/h8-11,13-15,17H,4-7H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 55097109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).