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

C15H13F4NO — CID 105035477

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc(F)c(F)c2F)c1F
InChIInChI=1S/C15H13F4NO/c1-21-12-4-2-3-8(13(12)17)7-11(20)9-5-6-10(16)15(19)14(9)18/h2-6,11H,7,20H2,1H3
InChIKeyVMOHFNLHLMUHGV-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.49
Rot. Bonds4

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

2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 105035477) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID105035477
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc(F)c(F)c2F)c1F
InChIInChI=1S/C15H13F4NO/c1-21-12-4-2-3-8(13(12)17)7-11(20)9-5-6-10(16)15(19)14(9)18/h2-6,11H,7,20H2,1H3
InChIKeyVMOHFNLHLMUHGV-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.49
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

2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035605
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,3,4-trifluorobenzene
CID 79756553
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105180643

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 105035477) is 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is COc1cccc(CC(N)c2ccc(F)c(F)c2F)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is VMOHFNLHLMUHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-12-4-2-3-8(13(12)17)7-11(20)9-5-6-10(16)15(19)14(9)18/h2-6,11H,7,20H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 105035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).