(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride

C8H10BrCl2NO — CID 171203752

IUPAC(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H9BrClNO.ClH/c9-7-2-1-5(10)3-6(7)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyBYXGOJNDSNFWPE-DDWIOCJRSA-N
MW286.98 g/mol
LogP2.52
Rot. Bonds2

About (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride (PubChem CID 171203752) has the molecular formula C8H10BrCl2NO and a molecular weight of 286.98 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
PubChem CID171203752
Molecular FormulaC8H10BrCl2NO
Molecular Weight286.98 g/mol
Exact Mass284.93
IUPAC Name(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H9BrClNO.ClH/c9-7-2-1-5(10)3-6(7)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyBYXGOJNDSNFWPE-DDWIOCJRSA-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

Analyze (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
(1R)-1-(2-bromo-5-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171203724
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
CID 84680049
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 91646208
2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
CID 84791951

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride (CID 171203752) is (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1cc(Cl)ccc1Br.
What is the InChIKey of (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride?
The InChIKey is BYXGOJNDSNFWPE-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9BrClNO.ClH/c9-7-2-1-5(10)3-6(7)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2-bromo-5-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 (2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171203752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).