[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine

C15H16FN — CID 66479818

IUPAC[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C15H16FN/c1-10-3-5-13(16)8-15(10)14-6-4-12(9-17)7-11(14)2/h3-8H,9,17H2,1-2H3
InChIKeyKNGNJXDAZSBGCZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.57
Rot. Bonds2

About [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine

[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine (PubChem CID 66479818) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
PubChem CID66479818
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C15H16FN/c1-10-3-5-13(16)8-15(10)14-6-4-12(9-17)7-11(14)2/h3-8H,9,17H2,1-2H3
InChIKeyKNGNJXDAZSBGCZ-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine (CID 66479818) is [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1-c1cc(F)ccc1C.
What is the InChIKey of [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
The InChIKey is KNGNJXDAZSBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-3-5-13(16)8-15(10)14-6-4-12(9-17)7-11(14)2/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine has a molecular weight of 229.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 66479818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).