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

C15H15F2N — CID 79690156

IUPAC1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)cc(F)c2)cc1F
InChIInChI=1S/C15H15F2N/c1-10-5-13(7-14(16)6-10)11-3-4-12(9-18-2)15(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyMFWLGIQNACJEQQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.66
Rot. Bonds3

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

1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine (PubChem CID 79690156) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
PubChem CID79690156
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)cc(F)c2)cc1F
InChIInChI=1S/C15H15F2N/c1-10-5-13(7-14(16)6-10)11-3-4-12(9-18-2)15(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyMFWLGIQNACJEQQ-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine (CID 79690156) is 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(C)cc(F)c2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is MFWLGIQNACJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-5-13(7-14(16)6-10)11-3-4-12(9-18-2)15(17)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-4-(3-fluoro-5-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-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79690156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).