1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine

C15H15BrFNO — CID 115793404

IUPAC1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1ccccc1OC
InChIInChI=1S/C15H15BrFNO/c1-18-15(11-8-7-10(17)9-13(11)16)12-5-3-4-6-14(12)19-2/h3-9,15,18H,1-2H3
InChIKeyIQQYQKDUYSDXAZ-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine (PubChem CID 115793404) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
PubChem CID115793404
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1ccccc1OC
InChIInChI=1S/C15H15BrFNO/c1-18-15(11-8-7-10(17)9-13(11)16)12-5-3-4-6-14(12)19-2/h3-9,15,18H,1-2H3
InChIKeyIQQYQKDUYSDXAZ-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-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433731
1-(2-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024930
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60965991
1-(4-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 115368891
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(4-bromo-2-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115368888
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485651
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
1-(2-bromo-3,4-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107539013

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine (CID 115793404) is 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1Br)c1ccccc1OC.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is IQQYQKDUYSDXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-15(11-8-7-10(17)9-13(11)16)12-5-3-4-6-14(12)19-2/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-(2-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-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115793404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).