1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine

C16H17F2N — CID 55116050

IUPAC1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc(F)cc1C
InChIInChI=1S/C16H17F2N/c1-11-9-13(17)7-8-14(11)16(19-2)10-12-5-3-4-6-15(12)18/h3-9,16,19H,10H2,1-2H3
InChIKeyWRQMVSNSXKAQLV-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 55116050) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID55116050
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc(F)cc1C
InChIInChI=1S/C16H17F2N/c1-11-9-13(17)7-8-14(11)16(19-2)10-12-5-3-4-6-15(12)18/h3-9,16,19H,10H2,1-2H3
InChIKeyWRQMVSNSXKAQLV-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 55116050) is 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is WRQMVSNSXKAQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-9-13(17)7-8-14(11)16(19-2)10-12-5-3-4-6-15(12)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 55116050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).