2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine

C15H14F3NO — CID 103301772

IUPAC2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H14F3NO/c1-20-10-4-2-9(3-5-10)6-15(19)11-7-13(17)14(18)8-12(11)16/h2-5,7-8,15H,6,19H2,1H3
InChIKeyZKLFFDDKZOEUIV-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine

2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103301772) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103301772
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H14F3NO/c1-20-10-4-2-9(3-5-10)6-15(19)11-7-13(17)14(18)8-12(11)16/h2-5,7-8,15H,6,19H2,1H3
InChIKeyZKLFFDDKZOEUIV-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine 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

1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4,5-trifluorobenzene
CID 103303705
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine (CID 103301772) is 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine is COc1ccc(CC(N)c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is ZKLFFDDKZOEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-20-10-4-2-9(3-5-10)6-15(19)11-7-13(17)14(18)8-12(11)16/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103301772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).