1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine

C15H14Br2FNO — CID 107976936

IUPAC1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1cccc(OC)c1F
InChIInChI=1S/C15H14Br2FNO/c1-19-15(9-6-10(16)8-11(17)7-9)12-4-3-5-13(20-2)14(12)18/h3-8,15,19H,1-2H3
InChIKeyXXRFTLPLBJELCG-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.67
Rot. Bonds4

About 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine

1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 107976936) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID107976936
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1cccc(OC)c1F
InChIInChI=1S/C15H14Br2FNO/c1-19-15(9-6-10(16)8-11(17)7-9)12-4-3-5-13(20-2)14(12)18/h3-8,15,19H,1-2H3
InChIKeyXXRFTLPLBJELCG-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107503548
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(5-bromo-2-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025179
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
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-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024930
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105174859

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 107976936) is 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Br)cc(Br)c1)c1cccc(OC)c1F.
What is the InChIKey of 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XXRFTLPLBJELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-19-15(9-6-10(16)8-11(17)7-9)12-4-3-5-13(20-2)14(12)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 403.09 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107976936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).