1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

C16H18FNO — CID 82807584

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cccc(OC)c1F
InChIInChI=1S/C16H18FNO/c1-11-7-9-12(10-8-11)16(18-2)13-5-4-6-14(19-3)15(13)17/h4-10,16,18H,1-3H3
InChIKeyOULCGPCPHMEHKY-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 82807584) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID82807584
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cccc(OC)c1F
InChIInChI=1S/C16H18FNO/c1-11-7-9-12(10-8-11)16(18-2)13-5-4-6-14(19-3)15(13)17/h4-10,16,18H,1-3H3
InChIKeyOULCGPCPHMEHKY-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107503548
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024844
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105174859
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(2-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024930
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 82807584) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is OULCGPCPHMEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-9-12(10-8-11)16(18-2)13-5-4-6-14(19-3)15(13)17/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 82807584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).