2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine

C15H14BrCl2NO — CID 115817348

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-3-2-11(16)4-10(15)7-14(19)9-5-12(17)8-13(18)6-9/h2-6,8,14H,7,19H2,1H3
InChIKeyYNABHTPPDRTJFJ-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.01
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine (PubChem CID 115817348) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
PubChem CID115817348
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-20-15-3-2-11(16)4-10(15)7-14(19)9-5-12(17)8-13(18)6-9/h2-6,8,14H,7,19H2,1H3
InChIKeyYNABHTPPDRTJFJ-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-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107946711
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine (CID 115817348) is 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine is COc1ccc(Br)cc1CC(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
The InChIKey is YNABHTPPDRTJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-20-15-3-2-11(16)4-10(15)7-14(19)9-5-12(17)8-13(18)6-9/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(3,5-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-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115817348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).