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

C15H14BrCl2NO — CID 115369457

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-8-10(16)3-4-11(15)14(19)7-9-2-5-12(17)13(18)6-9/h2-6,8,14H,7,19H2,1H3
InChIKeyDJQKAGSOFMYQTA-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.01
Rot. Bonds4

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

1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 115369457) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID115369457
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-8-10(16)3-4-11(15)14(19)7-9-2-5-12(17)13(18)6-9/h2-6,8,14H,7,19H2,1H3
InChIKeyDJQKAGSOFMYQTA-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-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine (CID 115369457) is 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is DJQKAGSOFMYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-20-15-8-10(16)3-4-11(15)14(19)7-9-2-5-12(17)13(18)6-9/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(4-bromo-2-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-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 115369457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).