N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide

C14H19F3N2O — CID 120604965

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-4-9(2)13(20)19-12-6-10(8-18)5-11(7-12)14(15,16)17/h5-7,9H,3-4,8,18H2,1-2H3,(H,19,20)
InChIKeyLDQWDBMZJPLAFJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.54
Rot. Bonds5

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide (PubChem CID 120604965) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
PubChem CID120604965
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-4-9(2)13(20)19-12-6-10(8-18)5-11(7-12)14(15,16)17/h5-7,9H,3-4,8,18H2,1-2H3,(H,19,20)
InChIKeyLDQWDBMZJPLAFJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 120604625
N-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutanamide
CID 58825547
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
CID 120604549
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 120605606
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 120604600
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 120605538
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylsulfanylphenoxy)propanamide;hydrochloride
CID 120604978
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 120605277
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide (CID 120604965) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
The InChIKey is LDQWDBMZJPLAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-4-9(2)13(20)19-12-6-10(8-18)5-11(7-12)14(15,16)17/h5-7,9H,3-4,8,18H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide has a molecular weight of 288.31 g/mol, XLogP of 3.54, 5 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]-2-methylpentanamide is sourced from PubChem (CID 120604965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).