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

C15H13F4N — CID 79725266

IUPAC1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1F)c1cccc(F)c1F
InChIInChI=1S/C15H13F4N/c1-8-6-10(13(18)7-12(8)17)15(20-2)9-4-3-5-11(16)14(9)19/h3-7,15,20H,1-2H3
InChIKeyIXQHXTZEAQRHNI-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.86
Rot. Bonds3

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

1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine (PubChem CID 79725266) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
PubChem CID79725266
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1F)c1cccc(F)c1F
InChIInChI=1S/C15H13F4N/c1-8-6-10(13(18)7-12(8)17)15(20-2)9-4-3-5-11(16)14(9)19/h3-7,15,20H,1-2H3
InChIKeyIXQHXTZEAQRHNI-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
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-(2,3-difluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 62649351
1-(2-chloro-6-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724607
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79724422
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 102803776
1-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725078
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine (CID 79725266) is 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine is CNC(c1cc(C)c(F)cc1F)c1cccc(F)c1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The InChIKey is IXQHXTZEAQRHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-8-6-10(13(18)7-12(8)17)15(20-2)9-4-3-5-11(16)14(9)19/h3-7,15,20H,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine has a molecular weight of 283.27 g/mol, XLogP of 3.86, 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-(2,3-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 79725266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).