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

C12H13F3N2O — CID 120605553

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESNCc1cc(NC(=O)C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-3-7(6-16)4-10(5-9)17-11(18)8-1-2-8/h3-5,8H,1-2,6,16H2,(H,17,18)
InChIKeyQDKZCJYPFZVTAS-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.51
Rot. Bonds3

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

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 120605553) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID120605553
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESNCc1cc(NC(=O)C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-3-7(6-16)4-10(5-9)17-11(18)8-1-2-8/h3-5,8H,1-2,6,16H2,(H,17,18)
InChIKeyQDKZCJYPFZVTAS-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
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]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
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]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 120605277
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 120605691
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 125120352

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 120605553) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide is NCc1cc(NC(=O)C2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is QDKZCJYPFZVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-3-7(6-16)4-10(5-9)17-11(18)8-1-2-8/h3-5,8H,1-2,6,16H2,(H,17,18).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.51, 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]cyclopropanecarboxamide is sourced from PubChem (CID 120605553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).