1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone

C16H23NO — CID 121314235

IUPAC1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1CCC1CCC[C@@H]1N
InChIInChI=1S/C16H23NO/c1-11-6-9-15(12(2)18)14(10-11)8-7-13-4-3-5-16(13)17/h6,9-10,13,16H,3-5,7-8,17H2,1-2H3/t13?,16-/m0/s1
InChIKeyMWSKYRWXWJGDIH-VYIIXAMBSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone

1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone (PubChem CID 121314235) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone
PubChem CID121314235
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1CCC1CCC[C@@H]1N
InChIInChI=1S/C16H23NO/c1-11-6-9-15(12(2)18)14(10-11)8-7-13-4-3-5-16(13)17/h6,9-10,13,16H,3-5,7-8,17H2,1-2H3/t13?,16-/m0/s1
InChIKeyMWSKYRWXWJGDIH-VYIIXAMBSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine
CID 121314220
2-acetyl-4-methylbenzamide
CID 163253724
2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
CID 79582053
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
2-(2-carbamoyl-5-methylphenyl)-N,N-dimethylethanamine oxide
CID 142839862
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone?
The IUPAC name of 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone (CID 121314235) is 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone is CC(=O)c1ccc(C)cc1CCC1CCC[C@@H]1N.
What is the InChIKey of 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone?
The InChIKey is MWSKYRWXWJGDIH-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-6-9-15(12(2)18)14(10-11)8-7-13-4-3-5-16(13)17/h6,9-10,13,16H,3-5,7-8,17H2,1-2H3/t13?,16-/m0/s1.
What are the key properties of 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone?
1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone is sourced from PubChem (CID 121314235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).