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

C16H18FN — CID 79690685

IUPAC1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)cc(F)c2)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-6-14(9-15(17)7-11)16-5-4-13(10-18-3)8-12(16)2/h4-9,18H,10H2,1-3H3
InChIKeyHYEOPGMXTPKXFE-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.83
Rot. Bonds3

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

1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 79690685) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
PubChem CID79690685
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)cc(F)c2)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-6-14(9-15(17)7-11)16-5-4-13(10-18-3)8-12(16)2/h4-9,18H,10H2,1-3H3
InChIKeyHYEOPGMXTPKXFE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine (CID 79690685) is 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(C)cc(F)c2)c(C)c1.
What is the InChIKey of 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is HYEOPGMXTPKXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-6-14(9-15(17)7-11)16-5-4-13(10-18-3)8-12(16)2/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 79690685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).