3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol

C12H19NO4 — CID 82850992

IUPAC3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
SMILESCNCc1ccc(OC)cc1OCC(O)CO
InChIInChI=1S/C12H19NO4/c1-13-6-9-3-4-11(16-2)5-12(9)17-8-10(15)7-14/h3-5,10,13-15H,6-8H2,1-2H3
InChIKeyZSSHYGLHTXYHNY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.15
Rot. Bonds7

About 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol

3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol (PubChem CID 82850992) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
PubChem CID82850992
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
SMILESCNCc1ccc(OC)cc1OCC(O)CO
InChIInChI=1S/C12H19NO4/c1-13-6-9-3-4-11(16-2)5-12(9)17-8-10(15)7-14/h3-5,10,13-15H,6-8H2,1-2H3
InChIKeyZSSHYGLHTXYHNY-UHFFFAOYSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82849900
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
CID 61268341
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
1-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491839
3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
CID 82850774
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
The IUPAC name of 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol (CID 82850992) is 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol is CNCc1ccc(OC)cc1OCC(O)CO.
What is the InChIKey of 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
The InChIKey is ZSSHYGLHTXYHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-13-6-9-3-4-11(16-2)5-12(9)17-8-10(15)7-14/h3-5,10,13-15H,6-8H2,1-2H3.
What are the key properties of 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol is sourced from PubChem (CID 82850992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).