4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol

C9H13NO3 — CID 130042329

IUPAC4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
SMILESNC(CO)c1ccc(O)cc1CO
InChIInChI=1S/C9H13NO3/c10-9(5-12)8-2-1-7(13)3-6(8)4-11/h1-3,9,11-13H,4-5,10H2
InChIKeyXMTIERGZKQJRRB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.12
Rot. Bonds3

About 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol

4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol (PubChem CID 130042329) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
PubChem CID130042329
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
SMILESNC(CO)c1ccc(O)cc1CO
InChIInChI=1S/C9H13NO3/c10-9(5-12)8-2-1-7(13)3-6(8)4-11/h1-3,9,11-13H,4-5,10H2
InChIKeyXMTIERGZKQJRRB-UHFFFAOYSA-N
XLogP-0.12
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
CID 55268338
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol (CID 130042329) is 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol is NC(CO)c1ccc(O)cc1CO.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol?
The InChIKey is XMTIERGZKQJRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c10-9(5-12)8-2-1-7(13)3-6(8)4-11/h1-3,9,11-13H,4-5,10H2.
What are the key properties of 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol?
4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol has a molecular weight of 183.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol is sourced from PubChem (CID 130042329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).