[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine

C16H18FN — CID 172876736

IUPAC[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine
SMILESCc1ccc(-c2cc(C)c(CN)c(C)c2)c(F)c1
InChIInChI=1S/C16H18FN/c1-10-4-5-14(16(17)6-10)13-7-11(2)15(9-18)12(3)8-13/h4-8H,9,18H2,1-3H3
InChIKeyOPCHPOOSEFHJJC-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.88
Rot. Bonds2

About [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine

[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine (PubChem CID 172876736) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine
PubChem CID172876736
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine
SMILESCc1ccc(-c2cc(C)c(CN)c(C)c2)c(F)c1
InChIInChI=1S/C16H18FN/c1-10-4-5-14(16(17)6-10)13-7-11(2)15(9-18)12(3)8-13/h4-8H,9,18H2,1-3H3
InChIKeyOPCHPOOSEFHJJC-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine?
The IUPAC name of [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine (CID 172876736) is [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine.
What is the SMILES notation for [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine?
The canonical SMILES for [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine is Cc1ccc(-c2cc(C)c(CN)c(C)c2)c(F)c1.
What is the InChIKey of [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine?
The InChIKey is OPCHPOOSEFHJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-10-4-5-14(16(17)6-10)13-7-11(2)15(9-18)12(3)8-13/h4-8H,9,18H2,1-3H3.
What are the key properties of [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine?
[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine has a molecular weight of 243.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine is sourced from PubChem (CID 172876736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).