2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride

C10H16ClNO3 — CID 171267529

IUPAC2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
SMILESCOc1ccc(O)c([C@H](N)[C@@H](C)O)c1.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13;/h3-6,10,12-13H,11H2,1-2H3;1H/t6-,10-;/m1./s1
InChIKeyMTLSYAWHDJRBEV-MIWKYWLESA-N
MW233.69 g/mol
LogP1.20
Rot. Bonds3

About 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride

2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride (PubChem CID 171267529) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
PubChem CID171267529
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
SMILESCOc1ccc(O)c([C@H](N)[C@@H](C)O)c1.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13;/h3-6,10,12-13H,11H2,1-2H3;1H/t6-,10-;/m1./s1
InChIKeyMTLSYAWHDJRBEV-MIWKYWLESA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.20
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-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-methoxyphenol
CID 171267542
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-methoxyphenol;hydrochloride
CID 171261853
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4-methoxyphenol
CID 171267534

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride (CID 171267529) is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride is COc1ccc(O)c([C@H](N)[C@@H](C)O)c1.Cl.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride?
The InChIKey is MTLSYAWHDJRBEV-MIWKYWLESA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13;/h3-6,10,12-13H,11H2,1-2H3;1H/t6-,10-;/m1./s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride?
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride is sourced from PubChem (CID 171267529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).