1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

C16H16F3N — CID 81477315

IUPAC1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1F)c1cccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-9-5-4-6-11(15(9)19)16(20-3)12-7-10(2)13(17)8-14(12)18/h4-8,16,20H,1-3H3
InChIKeyXMJGBJVQGKAMLR-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.03
Rot. Bonds3

About 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 81477315) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID81477315
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1F)c1cccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-9-5-4-6-11(15(9)19)16(20-3)12-7-10(2)13(17)8-14(12)18/h4-8,16,20H,1-3H3
InChIKeyXMJGBJVQGKAMLR-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 79725266
1-(3-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 81266470
1-(2,3-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724980
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(2-chloro-6-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724607
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81477388
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79724422

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 81477315) is 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(F)cc1F)c1cccc(C)c1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is XMJGBJVQGKAMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-9-5-4-6-11(15(9)19)16(20-3)12-7-10(2)13(17)8-14(12)18/h4-8,16,20H,1-3H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81477315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).