1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine

C15H15F2N — CID 54911947

IUPAC1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc(F)ccc2C)c1
InChIInChI=1S/C15H15F2N/c1-10-3-5-12(16)8-13(10)14-7-11(9-18-2)4-6-15(14)17/h3-8,18H,9H2,1-2H3
InChIKeyHMJHYRIXVRNXBM-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.66
Rot. Bonds3

About 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine

1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine (PubChem CID 54911947) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
PubChem CID54911947
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc(F)ccc2C)c1
InChIInChI=1S/C15H15F2N/c1-10-3-5-12(16)8-13(10)14-7-11(9-18-2)4-6-15(14)17/h3-8,18H,9H2,1-2H3
InChIKeyHMJHYRIXVRNXBM-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
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-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 82795419
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine (CID 54911947) is 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cc(F)ccc2C)c1.
What is the InChIKey of 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is HMJHYRIXVRNXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-3-5-12(16)8-13(10)14-7-11(9-18-2)4-6-15(14)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54911947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).