1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C16H16F3NO — CID 79516326

IUPAC1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1c(F)cccc1F
InChIInChI=1S/C16H16F3NO/c1-20-14(16-11(17)4-3-5-12(16)18)9-10-6-7-15(21-2)13(19)8-10/h3-8,14,20H,9H2,1-2H3
InChIKeySDWRADYORXQZLO-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.62
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 79516326) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID79516326
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1c(F)cccc1F
InChIInChI=1S/C16H16F3NO/c1-20-14(16-11(17)4-3-5-12(16)18)9-10-6-7-15(21-2)13(19)8-10/h3-8,14,20H,9H2,1-2H3
InChIKeySDWRADYORXQZLO-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374164
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115830032
1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
CID 62600121
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 79516326) is 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)c(F)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is SDWRADYORXQZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-14(16-11(17)4-3-5-12(16)18)9-10-6-7-15(21-2)13(19)8-10/h3-8,14,20H,9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 79516326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).