3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol

C12H19NO3 — CID 66171279

IUPAC3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol
SMILESCC(NCC(C)(O)CO)c1ccccc1O
InChIInChI=1S/C12H19NO3/c1-9(13-7-12(2,16)8-14)10-5-3-4-6-11(10)15/h3-6,9,13-16H,7-8H2,1-2H3
InChIKeySRCMFSZQTPDUTL-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.79
Rot. Bonds5

About 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol

3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol (PubChem CID 66171279) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol
PubChem CID66171279
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol
SMILESCC(NCC(C)(O)CO)c1ccccc1O
InChIInChI=1S/C12H19NO3/c1-9(13-7-12(2,16)8-14)10-5-3-4-6-11(10)15/h3-6,9,13-16H,7-8H2,1-2H3
InChIKeySRCMFSZQTPDUTL-UHFFFAOYSA-N
XLogP0.79
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol 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

3-[1-(2,5-difluorophenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66170679
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
2-ethyl-2-[1-(2-hydroxyphenyl)ethylamino]propane-1,3-diol
CID 113383908
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241
2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 104930531
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
CID 113429342
2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol (CID 66171279) is 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol is CC(NCC(C)(O)CO)c1ccccc1O.
What is the InChIKey of 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
The InChIKey is SRCMFSZQTPDUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(13-7-12(2,16)8-14)10-5-3-4-6-11(10)15/h3-6,9,13-16H,7-8H2,1-2H3.
What are the key properties of 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol has a molecular weight of 225.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66171279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).