1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine

C16H17BrFNO — CID 114559924

IUPAC1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1c(F)cccc1Br
InChIInChI=1S/C16H17BrFNO/c1-19-14(16-12(17)7-5-8-13(16)18)10-11-6-3-4-9-15(11)20-2/h3-9,14,19H,10H2,1-2H3
InChIKeyWNWMNPSNCIKWCR-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.10
Rot. Bonds5

About 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine

1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 114559924) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID114559924
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1c(F)cccc1Br
InChIInChI=1S/C16H17BrFNO/c1-19-14(16-12(17)7-5-8-13(16)18)10-11-6-3-4-9-15(11)20-2/h3-9,14,19H,10H2,1-2H3
InChIKeyWNWMNPSNCIKWCR-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 105398790
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
CID 114886897
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 114559924) is 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccccc1OC)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is WNWMNPSNCIKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19-14(16-12(17)7-5-8-13(16)18)10-11-6-3-4-9-15(11)20-2/h3-9,14,19H,10H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114559924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).