2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine

C16H17BrClNO — CID 63504239

IUPAC2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C16H17BrClNO/c1-19-16(9-11-4-3-5-12(17)8-11)14-7-6-13(20-2)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyJHYBXMQGHWDIBC-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine

2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 63504239) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
PubChem CID63504239
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C16H17BrClNO/c1-19-16(9-11-4-3-5-12(17)8-11)14-7-6-13(20-2)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyJHYBXMQGHWDIBC-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-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
2-(3-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylethanamine
CID 81045128
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 65433151

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine (CID 63504239) is 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JHYBXMQGHWDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-16(9-11-4-3-5-12(17)8-11)14-7-6-13(20-2)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine?
2-(3-bromophenyl)-1-(2-chloro-4-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 2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 63504239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).