1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine

C16H17BrClNO — CID 107988818

IUPAC1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-19-16(14-7-6-12(18)10-15(14)17)9-11-4-3-5-13(8-11)20-2/h3-8,10,16,19H,9H2,1-2H3
InChIKeyGHJZJDGYSQMZQQ-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine

1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 107988818) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID107988818
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-19-16(14-7-6-12(18)10-15(14)17)9-11-4-3-5-13(8-11)20-2/h3-8,10,16,19H,9H2,1-2H3
InChIKeyGHJZJDGYSQMZQQ-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
1-(2-bromo-3,4-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107539154
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 79217018
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 107988818) is 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is GHJZJDGYSQMZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-16(14-7-6-12(18)10-15(14)17)9-11-4-3-5-13(8-11)20-2/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 107988818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).