N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride

C17H26ClFN2O — CID 119600994

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
SMILESCC(CCc1cccc(F)c1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-12(8-9-13-4-2-6-15(18)10-13)17(21)20-16-7-3-5-14(16)11-19;/h2,4,6,10,12,14,16H,3,5,7-9,11,19H2,1H3,(H,20,21);1H
InChIKeyYMXKDGNZDSENCL-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride (PubChem CID 119600994) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
PubChem CID119600994
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
SMILESCC(CCc1cccc(F)c1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-12(8-9-13-4-2-6-15(18)10-13)17(21)20-16-7-3-5-14(16)11-19;/h2,4,6,10,12,14,16H,3,5,7-9,11,19H2,1H3,(H,20,21);1H
InChIKeyYMXKDGNZDSENCL-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119601607
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
1-[2-(aminomethyl)piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119466502
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119631263
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119611971
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119585743
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]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride (CID 119600994) is N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride is CC(CCc1cccc(F)c1)C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
The InChIKey is YMXKDGNZDSENCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-12(8-9-13-4-2-6-15(18)10-13)17(21)20-16-7-3-5-14(16)11-19;/h2,4,6,10,12,14,16H,3,5,7-9,11,19H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 119600994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).