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

C15H14BrCl2NO — CID 115840317

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-7-10(16)3-5-12(15)14(19)6-9-2-4-11(17)8-13(9)18/h2-5,7-8,14H,6,19H2,1H3
InChIKeyOXJMRSBMLYOIMD-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.01
Rot. Bonds4

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

1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 115840317) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
PubChem CID115840317
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-7-10(16)3-5-12(15)14(19)6-9-2-4-11(17)8-13(9)18/h2-5,7-8,14H,6,19H2,1H3
InChIKeyOXJMRSBMLYOIMD-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

2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine (CID 115840317) is 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is OXJMRSBMLYOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-20-15-7-10(16)3-5-12(15)14(19)6-9-2-4-11(17)8-13(9)18/h2-5,7-8,14H,6,19H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(2,4-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-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 115840317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).