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

C16H17F2N — CID 105410107

IUPAC1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2cc(F)c(C)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-10-4-5-12(9-19-3)7-13(10)14-8-15(17)11(2)6-16(14)18/h4-8,19H,9H2,1-3H3
InChIKeyARHZRYITDBIUGE-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.97
Rot. Bonds3

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

1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105410107) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
PubChem CID105410107
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2cc(F)c(C)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-10-4-5-12(9-19-3)7-13(10)14-8-15(17)11(2)6-16(14)18/h4-8,19H,9H2,1-3H3
InChIKeyARHZRYITDBIUGE-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096
1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 106646455
1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410126
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-[3-(2-methoxy-3,4-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 103434169
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine (CID 105410107) is 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(-c2cc(F)c(C)cc2F)c1.
What is the InChIKey of 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is ARHZRYITDBIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-4-5-12(9-19-3)7-13(10)14-8-15(17)11(2)6-16(14)18/h4-8,19H,9H2,1-3H3.
What are the key properties of 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine?
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105410107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).