1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C15H18F3NO — CID 116600888

IUPAC1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNCC1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-5-3-4-11(8-12)9-13(20)14(10-19)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,19H2
InChIKeyBUKORATWAMZXJU-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.34
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 116600888) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID116600888
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNCC1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-5-3-4-11(8-12)9-13(20)14(10-19)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,19H2
InChIKeyBUKORATWAMZXJU-UHFFFAOYSA-N
XLogP3.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 116600888) is 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone is NCC1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BUKORATWAMZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)12-5-3-4-11(8-12)9-13(20)14(10-19)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,19H2.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116600888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).