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

C17H20FNO — CID 105024844

IUPAC1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1cccc(OC)c1F
InChIInChI=1S/C17H20FNO/c1-11-8-9-13(12(2)10-11)17(19-3)14-6-5-7-15(20-4)16(14)18/h5-10,17,19H,1-4H3
InChIKeyHAUBIXKOPXMJSG-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.76
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 105024844) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID105024844
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1cccc(OC)c1F
InChIInChI=1S/C17H20FNO/c1-11-8-9-13(12(2)10-11)17(19-3)14-6-5-7-15(20-4)16(14)18/h5-10,17,19H,1-4H3
InChIKeyHAUBIXKOPXMJSG-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-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
1-(2-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024930
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485698
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(5-bromo-2-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025179
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 105024844) is 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(C)cc1C)c1cccc(OC)c1F.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is HAUBIXKOPXMJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-8-9-13(12(2)10-11)17(19-3)14-6-5-7-15(20-4)16(14)18/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105024844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).