3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol

C11H17NO3 — CID 107230520

IUPAC3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
SMILESOCc1cccc(CNCC(O)CO)c1
InChIInChI=1S/C11H17NO3/c13-7-10-3-1-2-9(4-10)5-12-6-11(15)8-14/h1-4,11-15H,5-8H2
InChIKeyYOSMDPGFXARAQM-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.38
Rot. Bonds6

About 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol

3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol (PubChem CID 107230520) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
PubChem CID107230520
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
SMILESOCc1cccc(CNCC(O)CO)c1
InChIInChI=1S/C11H17NO3/c13-7-10-3-1-2-9(4-10)5-12-6-11(15)8-14/h1-4,11-15H,5-8H2
InChIKeyYOSMDPGFXARAQM-UHFFFAOYSA-N
XLogP-0.38
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
(2S)-3-[[3-(3-sulfanylphenyl)phenyl]methylamino]propane-1,2-diol
CID 174283058
(2R)-3-[(3-nitrophenyl)methylamino]propane-1,2-diol
CID 96908585
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612
(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
CID 94252864
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
CID 107230401
methyl 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107230736
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
3-[(4-bromo-3-methylphenyl)methylamino]propane-1,2-diol
CID 66473650

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol (CID 107230520) is 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol is OCc1cccc(CNCC(O)CO)c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol?
The InChIKey is YOSMDPGFXARAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-7-10-3-1-2-9(4-10)5-12-6-11(15)8-14/h1-4,11-15H,5-8H2.
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol?
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol is sourced from PubChem (CID 107230520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).