1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine

C15H14BrCl2NO — CID 63502718

IUPAC1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-10-3-4-11(12(16)8-10)15(19)7-9-2-5-13(17)14(18)6-9/h2-6,8,15H,7,19H2,1H3
InChIKeyQILMGTKDXCQFAJ-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.01
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine

1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 63502718) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID63502718
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-10-3-4-11(12(16)8-10)15(19)7-9-2-5-13(17)14(18)6-9/h2-6,8,15H,7,19H2,1H3
InChIKeyQILMGTKDXCQFAJ-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-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 107995838
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine (CID 63502718) is 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is QILMGTKDXCQFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-20-10-3-4-11(12(16)8-10)15(19)7-9-2-5-13(17)14(18)6-9/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(2-bromo-4-methoxyphenyl)-2-(3,4-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 1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 63502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).