2-amino-2-(4-bromo-3-chlorophenyl)ethanol

C8H9BrClNO — CID 77130463

IUPAC2-amino-2-(4-bromo-3-chlorophenyl)ethanol
SMILESNC(CO)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H9BrClNO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChIKeyMAQPLFXZWZJVQQ-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-2-(4-bromo-3-chlorophenyl)ethanol

2-amino-2-(4-bromo-3-chlorophenyl)ethanol (PubChem CID 77130463) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 2-amino-2-(4-bromo-3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-bromo-3-chlorophenyl)ethanol
PubChem CID77130463
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name2-amino-2-(4-bromo-3-chlorophenyl)ethanol
SMILESNC(CO)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H9BrClNO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChIKeyMAQPLFXZWZJVQQ-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024152
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromo-3-chlorophenyl)ethanol?
The IUPAC name of 2-amino-2-(4-bromo-3-chlorophenyl)ethanol (CID 77130463) is 2-amino-2-(4-bromo-3-chlorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-bromo-3-chlorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-bromo-3-chlorophenyl)ethanol is NC(CO)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-amino-2-(4-bromo-3-chlorophenyl)ethanol?
The InChIKey is MAQPLFXZWZJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-2-(4-bromo-3-chlorophenyl)ethanol?
2-amino-2-(4-bromo-3-chlorophenyl)ethanol has a molecular weight of 250.52 g/mol, XLogP of 2.09, 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-3-chlorophenyl)ethanol is sourced from PubChem (CID 77130463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).