1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

C17H19F2NO — CID 114348185

IUPAC1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1c(F)cccc1OC
InChIInChI=1S/C17H19F2NO/c1-11-9-13(18)8-7-12(11)10-15(20-2)17-14(19)5-4-6-16(17)21-3/h4-9,15,20H,10H2,1-3H3
InChIKeyOEKROFNKQCGRQM-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 114348185) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID114348185
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1c(F)cccc1OC
InChIInChI=1S/C17H19F2NO/c1-11-9-13(18)8-7-12(11)10-15(20-2)17-14(19)5-4-6-16(17)21-3/h4-9,15,20H,10H2,1-3H3
InChIKeyOEKROFNKQCGRQM-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
[2-(3,4-dimethylphenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252484
[1-(4-fluoro-3-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340825

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (CID 114348185) is 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1c(F)cccc1OC.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is OEKROFNKQCGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-9-13(18)8-7-12(11)10-15(20-2)17-14(19)5-4-6-16(17)21-3/h4-9,15,20H,10H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 114348185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).