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

C15H14Br2ClNO — CID 105038050

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,14H,6,19H2,1H3
InChIKeyGBGKIURFLJGHFQ-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.12
Rot. Bonds4

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

2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine (PubChem CID 105038050) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
PubChem CID105038050
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,14H,6,19H2,1H3
InChIKeyGBGKIURFLJGHFQ-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-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
CID 105037979
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine (CID 105038050) is 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine?
The InChIKey is GBGKIURFLJGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,14H,6,19H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-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 2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 105038050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).