1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine

C17H20FN — CID 106882311

IUPAC1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2c(C)cc(C)cc2F)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-7-13(3)17(16(18)8-11)15-6-5-14(10-19-4)9-12(15)2/h5-9,19H,10H2,1-4H3
InChIKeyHWOVJRWXBPRSHI-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine

1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 106882311) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
PubChem CID106882311
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2c(C)cc(C)cc2F)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-7-13(3)17(16(18)8-11)15-6-5-14(10-19-4)9-12(15)2/h5-9,19H,10H2,1-4H3
InChIKeyHWOVJRWXBPRSHI-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106882243
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816
1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 79690685
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine
CID 81447979
N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine (CID 106882311) is 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(-c2c(C)cc(C)cc2F)c(C)c1.
What is the InChIKey of 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is HWOVJRWXBPRSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-7-13(3)17(16(18)8-11)15-6-5-14(10-19-4)9-12(15)2/h5-9,19H,10H2,1-4H3.
What are the key properties of 1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.14, 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-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 106882311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).