(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine

C16H25N — CID 81386101

IUPAC(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CN[C@@H](C)C2CCCC2)cc1
InChIInChI=1S/C16H25N/c1-3-14-8-10-15(11-9-14)12-17-13(2)16-6-4-5-7-16/h8-11,13,16-17H,3-7,12H2,1-2H3/t13-/m0/s1
InChIKeyBGAQDAODPJIUJJ-ZDUSSCGKSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine (PubChem CID 81386101) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
PubChem CID81386101
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CN[C@@H](C)C2CCCC2)cc1
InChIInChI=1S/C16H25N/c1-3-14-8-10-15(11-9-14)12-17-13(2)16-6-4-5-7-16/h8-11,13,16-17H,3-7,12H2,1-2H3/t13-/m0/s1
InChIKeyBGAQDAODPJIUJJ-ZDUSSCGKSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine (CID 81386101) is (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine is CCc1ccc(CN[C@@H](C)C2CCCC2)cc1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine?
The InChIKey is BGAQDAODPJIUJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N/c1-3-14-8-10-15(11-9-14)12-17-13(2)16-6-4-5-7-16/h8-11,13,16-17H,3-7,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81386101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).