3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol

C12H19NO3 — CID 3825046

IUPAC3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
SMILESOCCN(Cc1ccccc1)CC(O)CO
InChIInChI=1S/C12H19NO3/c14-7-6-13(9-12(16)10-15)8-11-4-2-1-3-5-11/h1-5,12,14-16H,6-10H2
InChIKeyYJGOFSMFFFGRGJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.17
Rot. Bonds7

About 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol

3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol (PubChem CID 3825046) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
PubChem CID3825046
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
SMILESOCCN(Cc1ccccc1)CC(O)CO
InChIInChI=1S/C12H19NO3/c14-7-6-13(9-12(16)10-15)8-11-4-2-1-3-5-11/h1-5,12,14-16H,6-10H2
InChIKeyYJGOFSMFFFGRGJ-UHFFFAOYSA-N
XLogP-0.17
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(2-hydroxyethyl)amino]propane-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

7-[benzyl(2-hydroxyethyl)amino]heptane-1,6-diol
CID 54202993
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
3-[2-benzylsulfanylethyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 154376449
(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840949
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
3-[benzyl(octyl)amino]propane-1,2-diol;2-hydroxypropanoic acid
CID 173440308
(2S)-1-(1-adamantyloxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol
CID 41493437
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol
CID 30050572
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111106274
1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol chloride
CID 21237867
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol (CID 3825046) is 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol is OCCN(Cc1ccccc1)CC(O)CO.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol?
The InChIKey is YJGOFSMFFFGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-7-6-13(9-12(16)10-15)8-11-4-2-1-3-5-11/h1-5,12,14-16H,6-10H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol?
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol has a molecular weight of 225.29 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol is sourced from PubChem (CID 3825046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).