2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride

C9H14ClNO3 — CID 171212313

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
SMILESCOc1cccc([C@H](N)CO)c1O.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-13-8-4-2-3-6(9(8)12)7(10)5-11;/h2-4,7,11-12H,5,10H2,1H3;1H/t7-;/m1./s1
InChIKeyHLKMQEXGORIYEE-OGFXRTJISA-N
MW219.67 g/mol
LogP0.81
Rot. Bonds3

About 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride

2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride (PubChem CID 171212313) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
PubChem CID171212313
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
SMILESCOc1cccc([C@H](N)CO)c1O.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-13-8-4-2-3-6(9(8)12)7(10)5-11;/h2-4,7,11-12H,5,10H2,1H3;1H/t7-;/m1./s1
InChIKeyHLKMQEXGORIYEE-OGFXRTJISA-N
XLogP0.81
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260133
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
CID 66514766

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride (CID 171212313) is 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride is COc1cccc([C@H](N)CO)c1O.Cl.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride?
The InChIKey is HLKMQEXGORIYEE-OGFXRTJISA-N. The full InChI is InChI=1S/C9H13NO3.ClH/c1-13-8-4-2-3-6(9(8)12)7(10)5-11;/h2-4,7,11-12H,5,10H2,1H3;1H/t7-;/m1./s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride?
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171212313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).