1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine

C15H14F3NO — CID 62963741

IUPAC1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCOc1ccccc1C(C)(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3NO/c1-15(19,9-5-3-4-6-12(9)20-2)10-7-8-11(16)14(18)13(10)17/h3-8H,19H2,1-2H3
InChIKeyIRCIZSIJUYLZBD-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine

1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 62963741) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID62963741
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCOc1ccccc1C(C)(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3NO/c1-15(19,9-5-3-4-6-12(9)20-2)10-7-8-11(16)14(18)13(10)17/h3-8H,19H2,1-2H3
InChIKeyIRCIZSIJUYLZBD-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
1-(2,5-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963750
1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156569
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
1-(2,3-difluorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144915
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 62963741) is 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is COc1ccccc1C(C)(N)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is IRCIZSIJUYLZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-15(19,9-5-3-4-6-12(9)20-2)10-7-8-11(16)14(18)13(10)17/h3-8H,19H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 62963741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).