N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide

C15H19F3N2O — CID 120605581

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESNCc1cc(NC(=O)C2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-6-10(9-19)7-13(8-12)20-14(21)11-4-2-1-3-5-11/h6-8,11H,1-5,9,19H2,(H,20,21)
InChIKeyIITOFBDXSBFJLC-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.68
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide (PubChem CID 120605581) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
PubChem CID120605581
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESNCc1cc(NC(=O)C2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-6-10(9-19)7-13(8-12)20-14(21)11-4-2-1-3-5-11/h6-8,11H,1-5,9,19H2,(H,20,21)
InChIKeyIITOFBDXSBFJLC-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-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 120605176
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120605177
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 120604600
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
CID 120604549
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide (CID 120605581) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide is NCc1cc(NC(=O)C2CCCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is IITOFBDXSBFJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-6-10(9-19)7-13(8-12)20-14(21)11-4-2-1-3-5-11/h6-8,11H,1-5,9,19H2,(H,20,21).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
N-[3-(aminomethyl)-5-(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-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 120605581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).