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

C16H16F3N — CID 105050986

IUPAC1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cccc(F)c1F
InChIInChI=1S/C16H16F3N/c1-10-8-12(17)7-6-11(10)9-15(20-2)13-4-3-5-14(18)16(13)19/h3-8,15,20H,9H2,1-2H3
InChIKeyDUGMYCGIORHLKG-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.92
Rot. Bonds4

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

1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105050986) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105050986
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cccc(F)c1F
InChIInChI=1S/C16H16F3N/c1-10-8-12(17)7-6-11(10)9-15(20-2)13-4-3-5-14(18)16(13)19/h3-8,15,20H,9H2,1-2H3
InChIKeyDUGMYCGIORHLKG-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
[2-(4-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105340770
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
[1-(2-bromo-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340815
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (CID 105050986) is 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is DUGMYCGIORHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10-8-12(17)7-6-11(10)9-15(20-2)13-4-3-5-14(18)16(13)19/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 279.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105050986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).