1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C15H20ClF3N2O — CID 119697626

IUPAC1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(CN)CCCC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10-4-5-11(8-12(10)15(16,17)18)20-13(21)14(9-19)6-2-3-7-14;/h4-5,8H,2-3,6-7,9,19H2,1H3,(H,20,21);1H
InChIKeyVYWWKDXVAWGOJN-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.89
Rot. Bonds3

About 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119697626) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119697626
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(CN)CCCC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10-4-5-11(8-12(10)15(16,17)18)20-13(21)14(9-19)6-2-3-7-14;/h4-5,8H,2-3,6-7,9,19H2,1H3,(H,20,21);1H
InChIKeyVYWWKDXVAWGOJN-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119697626) is 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2(CN)CCCC2)cc1C(F)(F)F.Cl.
What is the InChIKey of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VYWWKDXVAWGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-10-4-5-11(8-12(10)15(16,17)18)20-13(21)14(9-19)6-2-3-7-14;/h4-5,8H,2-3,6-7,9,19H2,1H3,(H,20,21);1H.
What are the key properties of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119697626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).