2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine

C17H18F3N — CID 106881394

IUPAC2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H18F3N/c1-10-4-11(2)17(15(20)5-10)16(21-3)8-12-6-13(18)9-14(19)7-12/h4-7,9,16,21H,8H2,1-3H3
InChIKeyZYQFZUXABDLZBZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.22
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine (PubChem CID 106881394) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
PubChem CID106881394
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H18F3N/c1-10-4-11(2)17(15(20)5-10)16(21-3)8-12-6-13(18)9-14(19)7-12/h4-7,9,16,21H,8H2,1-3H3
InChIKeyZYQFZUXABDLZBZ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881297
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406856
2-(4-ethylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803077
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105412321
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881599

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine (CID 106881394) is 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
The InChIKey is ZYQFZUXABDLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-10-4-11(2)17(15(20)5-10)16(21-3)8-12-6-13(18)9-14(19)7-12/h4-7,9,16,21H,8H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.22, 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-4,6-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 106881394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).