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

C15H14BrCl2NO — CID 115840124

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-5-3-10(6-12(15)16)14(19)7-9-2-4-11(17)8-13(9)18/h2-6,8,14H,7,19H2,1H3
InChIKeyUKFBBSGKWXYPMG-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.01
Rot. Bonds4

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

1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 115840124) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
PubChem CID115840124
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-5-3-10(6-12(15)16)14(19)7-9-2-4-11(17)8-13(9)18/h2-6,8,14H,7,19H2,1H3
InChIKeyUKFBBSGKWXYPMG-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

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

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
[1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295115
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine (CID 115840124) is 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is UKFBBSGKWXYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-20-15-5-3-10(6-12(15)16)14(19)7-9-2-4-11(17)8-13(9)18/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine?
1-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 115840124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).