1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

C16H17F2NO — CID 82807916

IUPAC1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)c1cccc(OC)c1F
InChIInChI=1S/C16H17F2NO/c1-10-9-11(7-8-13(10)17)16(19-2)12-5-4-6-14(20-3)15(12)18/h4-9,16,19H,1-3H3
InChIKeyLZIBFSUEYDRAJQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.59
Rot. Bonds4

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

1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 82807916) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID82807916
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)c1cccc(OC)c1F
InChIInChI=1S/C16H17F2NO/c1-10-9-11(7-8-13(10)17)16(19-2)12-5-4-6-14(20-3)15(12)18/h4-9,16,19H,1-3H3
InChIKeyLZIBFSUEYDRAJQ-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.59
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-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107503548
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 82807916) is 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is LZIBFSUEYDRAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-9-11(7-8-13(10)17)16(19-2)12-5-4-6-14(20-3)15(12)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.59, 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)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 82807916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).