2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine

C15H14BrCl2NO — CID 115862161

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-10-5-6-11(16)9(7-10)8-14(19)15-12(17)3-2-4-13(15)18/h2-7,14H,8,19H2,1H3
InChIKeyGNJORJUDPMDELR-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.01
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine (PubChem CID 115862161) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
PubChem CID115862161
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-10-5-6-11(16)9(7-10)8-14(19)15-12(17)3-2-4-13(15)18/h2-7,14H,8,19H2,1H3
InChIKeyGNJORJUDPMDELR-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
CID 115862152
2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 65325616
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine (CID 115862161) is 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine is COc1ccc(Br)c(CC(N)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine?
The InChIKey is GNJORJUDPMDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-20-10-5-6-11(16)9(7-10)8-14(19)15-12(17)3-2-4-13(15)18/h2-7,14H,8,19H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine has a molecular weight of 375.09 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 115862161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).