1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine

C17H20FNO2 — CID 61066484

IUPAC1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1c(OC)cccc1OC
InChIInChI=1S/C17H20FNO2/c1-19-14(11-12-7-4-5-8-13(12)18)17-15(20-2)9-6-10-16(17)21-3/h4-10,14,19H,11H2,1-3H3
InChIKeyVEBUXZOOVFXEHQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.35
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 61066484) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID61066484
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1c(OC)cccc1OC
InChIInChI=1S/C17H20FNO2/c1-19-14(11-12-7-4-5-8-13(12)18)17-15(20-2)9-6-10-16(17)21-3/h4-10,14,19H,11H2,1-3H3
InChIKeyVEBUXZOOVFXEHQ-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82814752
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 61066484) is 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is VEBUXZOOVFXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-19-14(11-12-7-4-5-8-13(12)18)17-15(20-2)9-6-10-16(17)21-3/h4-10,14,19H,11H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61066484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).