1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

C14H17F3N2O — CID 80587920

IUPAC1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9-3-4-10(7-11(9)14(15,16)17)19-12(20)13(8-18)5-2-6-13/h3-4,7H,2,5-6,8,18H2,1H3,(H,19,20)
InChIKeyBFLXANGDSUAPJB-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.08
Rot. Bonds3

About 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 80587920) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID80587920
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9-3-4-10(7-11(9)14(15,16)17)19-12(20)13(8-18)5-2-6-13/h3-4,7H,2,5-6,8,18H2,1H3,(H,19,20)
InChIKeyBFLXANGDSUAPJB-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697626
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 115447773
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 80587920) is 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2(CN)CCC2)cc1C(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is BFLXANGDSUAPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-3-4-10(7-11(9)14(15,16)17)19-12(20)13(8-18)5-2-6-13/h3-4,7H,2,5-6,8,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.08, 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]cyclobutane-1-carboxamide is sourced from PubChem (CID 80587920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).