1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

C15H14BrF2NO — CID 115785773

IUPAC1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-19-15(9-4-3-5-11(6-9)20-2)14-12(17)7-10(16)8-13(14)18/h3-8,15,19H,1-2H3
InChIKeyYKEQWGKBFHZOAY-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 115785773) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID115785773
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-19-15(9-4-3-5-11(6-9)20-2)14-12(17)7-10(16)8-13(14)18/h3-8,15,19H,1-2H3
InChIKeyYKEQWGKBFHZOAY-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-bromo-2,6-difluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283689
1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022348
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
[(4-bromo-2-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105280937
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79724422
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 63943412
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797203

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 115785773) is 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is YKEQWGKBFHZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-19-15(9-4-3-5-11(6-9)20-2)14-12(17)7-10(16)8-13(14)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115785773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).