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

C15H16FN — CID 54911637

IUPAC1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2ccc(C)cc2)c1
InChIInChI=1S/C15H16FN/c1-11-3-6-13(7-4-11)14-9-12(10-17-2)5-8-15(14)16/h3-9,17H,10H2,1-2H3
InChIKeyRZBUIMJYFQVEIR-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.52
Rot. Bonds3

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

1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine (PubChem CID 54911637) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
PubChem CID54911637
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2ccc(C)cc2)c1
InChIInChI=1S/C15H16FN/c1-11-3-6-13(7-4-11)14-9-12(10-17-2)5-8-15(14)16/h3-9,17H,10H2,1-2H3
InChIKeyRZBUIMJYFQVEIR-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 63424877
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816
1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 107289695
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
CID 54910696
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline
CID 107454589

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine (CID 54911637) is 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2ccc(C)cc2)c1.
What is the InChIKey of 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is RZBUIMJYFQVEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-3-6-13(7-4-11)14-9-12(10-17-2)5-8-15(14)16/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine?
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 229.30 g/mol, XLogP of 3.52, 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-(4-methylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54911637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).