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

C14H19F3N2O2 — CID 65483564

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-2-6-21-7-5-13(20)19-11-4-3-10(9-18)12(8-11)14(15,16)17/h3-4,8H,2,5-7,9,18H2,1H3,(H,19,20)
InChIKeyFMZLOWLBZMPOKW-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.92
Rot. Bonds7

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

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide (PubChem CID 65483564) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
PubChem CID65483564
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-2-6-21-7-5-13(20)19-11-4-3-10(9-18)12(8-11)14(15,16)17/h3-4,8H,2,5-7,9,18H2,1H3,(H,19,20)
InChIKeyFMZLOWLBZMPOKW-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 114873414
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
CID 65482981
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-propoxypropanamide
CID 62715474
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-(3-carbamothioyl-4-fluorophenyl)-3-propoxypropanamide
CID 62716666
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465
5-(3-propoxypropanoylamino)benzene-1,3-dicarboxylic acid
CID 62715097
2-bromo-5-(3-propoxypropanoylamino)benzoic acid
CID 113281067

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide (CID 65483564) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide?
The InChIKey is FMZLOWLBZMPOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-6-21-7-5-13(20)19-11-4-3-10(9-18)12(8-11)14(15,16)17/h3-4,8H,2,5-7,9,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide has a molecular weight of 304.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide is sourced from PubChem (CID 65483564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).