N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride

C17H24ClF3N2O — CID 119601607

IUPACN-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-11(16(23)22-15-7-3-5-13(15)10-21)8-12-4-2-6-14(9-12)17(18,19)20;/h2,4,6,9,11,13,15H,3,5,7-8,10,21H2,1H3,(H,22,23);1H
InChIKeyFXYPQFDJZOXBLP-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.55
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 119601607) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID119601607
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-11(16(23)22-15-7-3-5-13(15)10-21)8-12-4-2-6-14(9-12)17(18,19)20;/h2,4,6,9,11,13,15H,3,5,7-8,10,21H2,1H3,(H,22,23);1H
InChIKeyFXYPQFDJZOXBLP-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119603353
2-methyl-2-[[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119187474
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-[2-(aminomethyl)cyclohexyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119610280
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120947569
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308995
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111479963
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 119601607) is N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride is CC(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is FXYPQFDJZOXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-11(16(23)22-15-7-3-5-13(15)10-21)8-12-4-2-6-14(9-12)17(18,19)20;/h2,4,6,9,11,13,15H,3,5,7-8,10,21H2,1H3,(H,22,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119601607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).