2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine

C16H16F3N — CID 105412480

IUPAC2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(C)cc1F
InChIInChI=1S/C16H16F3N/c1-10-3-4-14(15(19)5-10)16(20-2)8-11-6-12(17)9-13(18)7-11/h3-7,9,16,20H,8H2,1-2H3
InChIKeySPDPRKGOENOTIY-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.92
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 105412480) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID105412480
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(C)cc1F
InChIInChI=1S/C16H16F3N/c1-10-3-4-14(15(19)5-10)16(20-2)8-11-6-12(17)9-13(18)7-11/h3-7,9,16,20H,8H2,1-2H3
InChIKeySPDPRKGOENOTIY-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

2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
[2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105324778
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
2-(5-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115841386
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 107103195
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine (CID 105412480) is 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1ccc(C)cc1F.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is SPDPRKGOENOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10-3-4-14(15(19)5-10)16(20-2)8-11-6-12(17)9-13(18)7-11/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(2-fluoro-4-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 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105412480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).