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

C17H20FNO — CID 43487689

IUPAC1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc(C)cc1C
InChIInChI=1S/C17H20FNO/c1-11-5-7-14(12(2)9-11)17(19-3)13-6-8-16(20-4)15(18)10-13/h5-10,17,19H,1-4H3
InChIKeyYNYQTKQSNSPXJI-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.76
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 43487689) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID43487689
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc(C)cc1C
InChIInChI=1S/C17H20FNO/c1-11-5-7-14(12(2)9-11)17(19-3)13-6-8-16(20-4)15(18)10-13/h5-10,17,19H,1-4H3
InChIKeyYNYQTKQSNSPXJI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(2,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485698
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
[(2,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105292610
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024844
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 43487689) is 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is YNYQTKQSNSPXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-5-7-14(12(2)9-11)17(19-3)13-6-8-16(20-4)15(18)10-13/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43487689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).