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

C16H17F2NO — CID 105024978

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

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

1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 105024978) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID105024978
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)c1cccc(OC)c1F
InChIInChI=1S/C16H17F2NO/c1-10-6-4-7-11(14(10)17)16(19-2)12-8-5-9-13(20-3)15(12)18/h4-9,16,19H,1-3H3
InChIKeyXXZYCDWECQWERG-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-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024844
1-(5-bromo-2-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025179
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 82808124
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
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)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104805121
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 105024978) is 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1cccc(C)c1F)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is XXZYCDWECQWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-6-4-7-11(14(10)17)16(19-2)12-8-5-9-13(20-3)15(12)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2-fluoro-3-methoxyphenyl)-1-(2-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-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105024978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).