2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine

C16H17F2NO — CID 104793765

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc(C)c(F)c2)c1F
InChIInChI=1S/C16H17F2NO/c1-10-6-7-11(8-13(10)17)14(19)9-12-4-3-5-15(20-2)16(12)18/h3-8,14H,9,19H2,1-2H3
InChIKeyVDMGAYRWJHPDGI-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 104793765) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID104793765
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc(C)c(F)c2)c1F
InChIInChI=1S/C16H17F2NO/c1-10-6-7-11(8-13(10)17)14(19)9-12-4-3-5-15(20-2)16(12)18/h3-8,14H,9,19H2,1-2H3
InChIKeyVDMGAYRWJHPDGI-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107946711
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 104793765) is 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine is COc1cccc(CC(N)c2ccc(C)c(F)c2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is VDMGAYRWJHPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-6-7-11(8-13(10)17)14(19)9-12-4-3-5-15(20-2)16(12)18/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.52, 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-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 104793765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).