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

C16H16F3NO — CID 62602257

IUPAC1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(11-4-5-12(17)13(18)9-11)8-10-3-6-16(21-2)14(19)7-10/h3-7,9,15,20H,8H2,1-2H3
InChIKeyUCPXXQIKCFPUOW-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.62
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 62602257) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID62602257
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(11-4-5-12(17)13(18)9-11)8-10-3-6-16(21-2)14(19)7-10/h3-7,9,15,20H,8H2,1-2H3
InChIKeyUCPXXQIKCFPUOW-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

2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
2-(4-chloro-3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 107885051
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374164
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
[1-(3-chloro-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105218129
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 62602257) is 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is UCPXXQIKCFPUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-15(11-4-5-12(17)13(18)9-11)8-10-3-6-16(21-2)14(19)7-10/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
1-(3,4-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-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62602257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).