2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol

C9H12ClNO2 — CID 66514115

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c([C@@H](N)CO)c1O
InChIInChI=1S/C9H12ClNO2/c1-5-2-3-6(10)8(9(5)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1
InChIKeyOGLOMHZVTNPZHB-ZETCQYMHSA-N
MW201.65 g/mol
LogP1.35
Rot. Bonds2

About 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol

2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol (PubChem CID 66514115) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
PubChem CID66514115
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c([C@@H](N)CO)c1O
InChIInChI=1S/C9H12ClNO2/c1-5-2-3-6(10)8(9(5)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1
InChIKeyOGLOMHZVTNPZHB-ZETCQYMHSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol (CID 66514115) is 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol is Cc1ccc(Cl)c([C@@H](N)CO)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol?
The InChIKey is OGLOMHZVTNPZHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-5-2-3-6(10)8(9(5)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol?
2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol has a molecular weight of 201.65 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol is sourced from PubChem (CID 66514115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).