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

C14H19F3N2O — CID 114873414

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-9(2)6-13(20)19-11-5-4-10(8-18)12(7-11)14(15,16)17/h4-5,7,9H,3,6,8,18H2,1-2H3,(H,19,20)
InChIKeyBGGYBVBDJBBVCY-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.54
Rot. Bonds5

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

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide (PubChem CID 114873414) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
PubChem CID114873414
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-9(2)6-13(20)19-11-5-4-10(8-18)12(7-11)14(15,16)17/h4-5,7,9H,3,6,8,18H2,1-2H3,(H,19,20)
InChIKeyBGGYBVBDJBBVCY-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-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
CID 65482981
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
CID 79254725
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 79156712
(3S)-5-[4-cyano-3-(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid
CID 129392471
1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
CID 65483179
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887
2-chloro-4-(3-methylpentanoylamino)benzoic acid
CID 114873676

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide (CID 114873414) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide is CCC(C)CC(=O)Nc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide?
The InChIKey is BGGYBVBDJBBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-9(2)6-13(20)19-11-5-4-10(8-18)12(7-11)14(15,16)17/h4-5,7,9H,3,6,8,18H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-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-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 114873414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).