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

C16H18FN — CID 66479816

IUPAC1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-4-7-16(17)15(8-11)14-6-5-13(10-18-3)9-12(14)2/h4-9,18H,10H2,1-3H3
InChIKeyJRALJNNECWKWQK-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.83
Rot. Bonds3

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

1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 66479816) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
PubChem CID66479816
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-4-7-16(17)15(8-11)14-6-5-13(10-18-3)9-12(14)2/h4-9,18H,10H2,1-3H3
InChIKeyJRALJNNECWKWQK-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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Related Compounds

1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 106882311
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 79690685
1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
CID 82119039
N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine (CID 66479816) is 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(C)ccc2F)c(C)c1.
What is the InChIKey of 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is JRALJNNECWKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-4-7-16(17)15(8-11)14-6-5-13(10-18-3)9-12(14)2/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(2-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-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 66479816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).