1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine

C15H14Br2ClNO — CID 115817163

IUPAC1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8,14H,7,19H2,1H3
InChIKeyVACRWFCNYWUTPK-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine (PubChem CID 115817163) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
PubChem CID115817163
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8,14H,7,19H2,1H3
InChIKeyVACRWFCNYWUTPK-UHFFFAOYSA-N
XLogP5.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine (CID 115817163) is 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine is COc1ccc(Br)cc1CC(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
The InChIKey is VACRWFCNYWUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine has a molecular weight of 419.54 g/mol, XLogP of 5.12, 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-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 115817163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).