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

C15H15BrFNO — CID 82807700

IUPAC1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1cccc(OC)c1F
InChIInChI=1S/C15H15BrFNO/c1-18-15(10-5-3-6-11(16)9-10)12-7-4-8-13(19-2)14(12)17/h3-9,15,18H,1-2H3
InChIKeyQOXJMSFKACVXMB-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

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

1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 82807700) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID82807700
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1cccc(OC)c1F
InChIInChI=1S/C15H15BrFNO/c1-18-15(10-5-3-6-11(16)9-10)12-7-4-8-13(19-2)14(12)17/h3-9,15,18H,1-2H3
InChIKeyQOXJMSFKACVXMB-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(5-bromo-2-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025179
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107503548
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 82807700) is 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(Br)c1)c1cccc(OC)c1F.
What is the InChIKey of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is QOXJMSFKACVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-15(10-5-3-6-11(16)9-10)12-7-4-8-13(19-2)14(12)17/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 82807700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).