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

C16H16BrCl2NO — CID 105037702

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1ccc(Cl)cc1OC
InChIInChI=1S/C16H16BrCl2NO/c1-20-15(7-10-3-4-11(17)8-14(10)19)13-6-5-12(18)9-16(13)21-2/h3-6,8-9,15,20H,7H2,1-2H3
InChIKeyXMXCNGVUKATLJE-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.27
Rot. Bonds5

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

2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine (PubChem CID 105037702) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
PubChem CID105037702
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1ccc(Cl)cc1OC
InChIInChI=1S/C16H16BrCl2NO/c1-20-15(7-10-3-4-11(17)8-14(10)19)13-6-5-12(18)9-16(13)21-2/h3-6,8-9,15,20H,7H2,1-2H3
InChIKeyXMXCNGVUKATLJE-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830255
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine (CID 105037702) is 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1ccc(Cl)cc1OC.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is XMXCNGVUKATLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-20-15(7-10-3-4-11(17)8-14(10)19)13-6-5-12(18)9-16(13)21-2/h3-6,8-9,15,20H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine has a molecular weight of 389.12 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105037702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).