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

C17H20FN — CID 62548369

IUPAC1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)c1cccc(C)c1C
InChIInChI=1S/C17H20FN/c1-11-6-5-7-15(13(11)3)17(19-4)14-8-9-16(18)12(2)10-14/h5-10,17,19H,1-4H3
InChIKeyJOKUMOVXGLJSJN-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.06
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 62548369) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID62548369
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)c1cccc(C)c1C
InChIInChI=1S/C17H20FN/c1-11-6-5-7-15(13(11)3)17(19-4)14-8-9-16(18)12(2)10-14/h5-10,17,19H,1-4H3
InChIKeyJOKUMOVXGLJSJN-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 62548369) is 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is JOKUMOVXGLJSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-6-5-7-15(13(11)3)17(19-4)14-8-9-16(18)12(2)10-14/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 62548369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).