1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone

C15H21NO — CID 115038480

IUPAC1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C1(N(C)C)CCCC1
InChIInChI=1S/C15H21NO/c1-12(17)13-8-4-5-9-14(13)15(16(2)3)10-6-7-11-15/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyGWRKEXCFOFLULK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.22
Rot. Bonds3

About 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone

1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone (PubChem CID 115038480) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
PubChem CID115038480
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C1(N(C)C)CCCC1
InChIInChI=1S/C15H21NO/c1-12(17)13-8-4-5-9-14(13)15(16(2)3)10-6-7-11-15/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyGWRKEXCFOFLULK-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(dimethylamino)cyclopentyl]phenol
CID 115024209
2-[1-(dimethylamino)cyclohexyl]phenol
CID 115031583
1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
CID 115049925
2-[1-(dimethylamino)cyclopentyl]benzaldehyde
CID 115030249
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
CID 124704358
1-[2-(3-hydroxythian-3-yl)phenyl]ethanone
CID 105498127
1-[2-(4-hydroxy-1-methylpiperidin-4-yl)phenyl]ethanone
CID 105493011
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 68562919
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
2-(1-methylcyclopropyl)benzoyl chloride
CID 118196176

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone?
The IUPAC name of 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone (CID 115038480) is 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone is CC(=O)c1ccccc1C1(N(C)C)CCCC1.
What is the InChIKey of 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone?
The InChIKey is GWRKEXCFOFLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(17)13-8-4-5-9-14(13)15(16(2)3)10-6-7-11-15/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone?
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone is sourced from PubChem (CID 115038480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).