N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

C15H19F3N2O — CID 65484926

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESNCc1ccc(NC(=O)C2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-8-12(7-6-11(13)9-19)20-14(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9,19H2,(H,20,21)
InChIKeyKQUVJVGDZAIMTA-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.68
Rot. Bonds3

About N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide (PubChem CID 65484926) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
PubChem CID65484926
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESNCc1ccc(NC(=O)C2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-8-12(7-6-11(13)9-19)20-14(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9,19H2,(H,20,21)
InChIKeyKQUVJVGDZAIMTA-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
CID 65482981
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 79156712
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide (CID 65484926) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide is NCc1ccc(NC(=O)C2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is KQUVJVGDZAIMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)13-8-12(7-6-11(13)9-19)20-14(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9,19H2,(H,20,21).
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 65484926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).