1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C16H17BrFNO2 — CID 62919212

IUPAC1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H17BrFNO2/c1-19-16(10-4-6-15(21-3)13(18)8-10)12-9-11(17)5-7-14(12)20-2/h4-9,16,19H,1-3H3
InChIKeyKSIWZOKPJPPKHK-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.91
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 62919212) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID62919212
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H17BrFNO2/c1-19-16(10-4-6-15(21-3)13(18)8-10)12-9-11(17)5-7-14(12)20-2/h4-9,16,19H,1-3H3
InChIKeyKSIWZOKPJPPKHK-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
1-(5-bromo-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105011823
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105398813
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 62919212) is 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is KSIWZOKPJPPKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-19-16(10-4-6-15(21-3)13(18)8-10)12-9-11(17)5-7-14(12)20-2/h4-9,16,19H,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 62919212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).