(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride

C9H13Cl2NO — CID 118340479

IUPAC(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)Cc1ccccc1Cl
InChIInChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-7(9)5-8(11)6-12;/h1-4,8,12H,5-6,11H2;1H/t8-;/m1./s1
InChIKeyCUAZCOQXWMYOQV-DDWIOCJRSA-N
MW222.11 g/mol
LogP1.62
Rot. Bonds3

About (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride

(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride (PubChem CID 118340479) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride
PubChem CID118340479
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)Cc1ccccc1Cl
InChIInChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-7(9)5-8(11)6-12;/h1-4,8,12H,5-6,11H2;1H/t8-;/m1./s1
InChIKeyCUAZCOQXWMYOQV-DDWIOCJRSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride (CID 118340479) is (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CO)Cc1ccccc1Cl.
What is the InChIKey of (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride?
The InChIKey is CUAZCOQXWMYOQV-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-7(9)5-8(11)6-12;/h1-4,8,12H,5-6,11H2;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride?
(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride has a molecular weight of 222.11 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 118340479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).