2-(1-amino-2-hydroxyethyl)-3-methoxyphenol

C9H13NO3 — CID 77129655

IUPAC2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
SMILESCOc1cccc(O)c1C(N)CO
InChIInChI=1S/C9H13NO3/c1-13-8-4-2-3-7(12)9(8)6(10)5-11/h2-4,6,11-12H,5,10H2,1H3
InChIKeyLDYGIRDIFDYFJT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds3

About 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol

2-(1-amino-2-hydroxyethyl)-3-methoxyphenol (PubChem CID 77129655) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
PubChem CID77129655
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
SMILESCOc1cccc(O)c1C(N)CO
InChIInChI=1S/C9H13NO3/c1-13-8-4-2-3-7(12)9(8)6(10)5-11/h2-4,6,11-12H,5,10H2,1H3
InChIKeyLDYGIRDIFDYFJT-UHFFFAOYSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
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)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
CID 84678506
2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
CID 171216328
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol (CID 77129655) is 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol is COc1cccc(O)c1C(N)CO.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol?
The InChIKey is LDYGIRDIFDYFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-8-4-2-3-7(12)9(8)6(10)5-11/h2-4,6,11-12H,5,10H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol?
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-3-methoxyphenol is sourced from PubChem (CID 77129655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).