N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride

C16H22ClF3N2O — CID 119602801

IUPACN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H21F3N2O.ClH/c17-16(18,19)13(11-5-2-1-3-6-11)9-15(22)21-14-8-4-7-12(14)10-20;/h1-3,5-6,12-14H,4,7-10,20H2,(H,21,22);1H
InChIKeyORFPGGMWEGGTBO-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride (PubChem CID 119602801) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
PubChem CID119602801
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H21F3N2O.ClH/c17-16(18,19)13(11-5-2-1-3-6-11)9-15(22)21-14-8-4-7-12(14)10-20;/h1-3,5-6,12-14H,4,7-10,20H2,(H,21,22);1H
InChIKeyORFPGGMWEGGTBO-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-[2-(aminomethyl)cyclopentyl]-3-phenylpentanamide;hydrochloride
CID 119604654
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119603353
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119590512
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119574021
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride (CID 119602801) is N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CC(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The InChIKey is ORFPGGMWEGGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c17-16(18,19)13(11-5-2-1-3-6-11)9-15(22)21-14-8-4-7-12(14)10-20;/h1-3,5-6,12-14H,4,7-10,20H2,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.39, 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]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119602801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).