2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine

C11H14F3NO — CID 102795122

IUPAC2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCOC(C)CNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H14F3NO/c1-7(16-2)5-15-6-8-3-10(13)11(14)4-9(8)12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyAURGWCFPMGBVJW-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.23
Rot. Bonds5

About 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine

2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine (PubChem CID 102795122) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
PubChem CID102795122
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCOC(C)CNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H14F3NO/c1-7(16-2)5-15-6-8-3-10(13)11(14)4-9(8)12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyAURGWCFPMGBVJW-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-[(2-methoxypropylamino)methyl]benzonitrile
CID 102698066
4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
CID 102696377
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
2-N,2-N,4-trimethyl-1-N-[(2,4,5-trifluorophenyl)methyl]pentane-1,2-diamine
CID 103792523
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467
1-methoxy-4-[(2,4,5-trifluorophenyl)methylamino]butan-2-ol
CID 103876226
N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
3-methoxy-4-[(2-methoxypropylamino)methyl]aniline
CID 107208570
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine (CID 102795122) is 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine is COC(C)CNCc1cc(F)c(F)cc1F.
What is the InChIKey of 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is AURGWCFPMGBVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(16-2)5-15-6-8-3-10(13)11(14)4-9(8)12/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine?
2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 102795122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).