2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride

C8H10BrCl2NO — CID 155888152

IUPAC2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H9BrClNO.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H
InChIKeyNKAOOFBKNRAJBU-UHFFFAOYSA-N
MW286.98 g/mol
LogP2.52
Rot. Bonds2

About 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride

2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride (PubChem CID 155888152) has the molecular formula C8H10BrCl2NO and a molecular weight of 286.98 g/mol. Its IUPAC name is 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
PubChem CID155888152
Molecular FormulaC8H10BrCl2NO
Molecular Weight286.98 g/mol
Exact Mass284.93
IUPAC Name2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H9BrClNO.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H
InChIKeyNKAOOFBKNRAJBU-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.98
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
(1S)-1-(4-bromo-2-chlorophenyl)-3-methylbut-3-en-1-amine
CID 131436877
(1R)-1-(4-bromo-2-chlorophenyl)-3-methylbut-3-en-1-amine
CID 131299254
2-[[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 82778830
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
CID 171257157
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
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2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride (CID 155888152) is 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride is Cl.NC(CO)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride?
The InChIKey is NKAOOFBKNRAJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H.
What are the key properties of 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride?
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride has a molecular weight of 286.98 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 155888152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).