(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride

C8H10Cl3NO — CID 74889971

IUPAC(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyMHVBQPIPUIGSRB-DDWIOCJRSA-N
MW242.53 g/mol
LogP2.41
Rot. Bonds2

About (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride (PubChem CID 74889971) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
PubChem CID74889971
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyMHVBQPIPUIGSRB-DDWIOCJRSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-(3,4-dichlorophenyl)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

(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
CID 66515616
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 133268754
methyl 5-[(1S)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 91825956
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride (CID 74889971) is (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride?
The InChIKey is MHVBQPIPUIGSRB-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride has a molecular weight of 242.53 g/mol, XLogP of 2.41, 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-(3,4-dichlorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 74889971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).