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

C17H20FNO2 — CID 105035532

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(OC)c2F)ccc1C
InChIInChI=1S/C17H20FNO2/c1-11-7-8-12(10-16(11)21-3)14(19)9-13-5-4-6-15(20-2)17(13)18/h4-8,10,14H,9,19H2,1-3H3
InChIKeyFWZKFUKYIIXOBB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.39
Rot. Bonds5

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

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 105035532) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID105035532
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(OC)c2F)ccc1C
InChIInChI=1S/C17H20FNO2/c1-11-7-8-12(10-16(11)21-3)14(19)9-13-5-4-6-15(20-2)17(13)18/h4-8,10,14H,9,19H2,1-3H3
InChIKeyFWZKFUKYIIXOBB-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
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-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115843147
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107946711
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 105035532) is 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2cccc(OC)c2F)ccc1C.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is FWZKFUKYIIXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-7-8-12(10-16(11)21-3)14(19)9-13-5-4-6-15(20-2)17(13)18/h4-8,10,14H,9,19H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 105035532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).