3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol

C15H23NO5 — CID 103848244

IUPAC3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
SMILESCOc1ccc(CNCC2(O)CCOC2)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-18-12-5-4-11(13(19-2)14(12)20-3)8-16-9-15(17)6-7-21-10-15/h4-5,16-17H,6-10H2,1-3H3
InChIKeyZPWZQXOJIYTETC-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.95
Rot. Bonds7

About 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol

3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848244) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
PubChem CID103848244
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
SMILESCOc1ccc(CNCC2(O)CCOC2)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-18-12-5-4-11(13(19-2)14(12)20-3)8-16-9-15(17)6-7-21-10-15/h4-5,16-17H,6-10H2,1-3H3
InChIKeyZPWZQXOJIYTETC-UHFFFAOYSA-N
XLogP0.95
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050
3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100587
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
N'-hydroxy-4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106101834
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol (CID 103848244) is 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol is COc1ccc(CNCC2(O)CCOC2)c(OC)c1OC.
What is the InChIKey of 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is ZPWZQXOJIYTETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-18-12-5-4-11(13(19-2)14(12)20-3)8-16-9-15(17)6-7-21-10-15/h4-5,16-17H,6-10H2,1-3H3.
What are the key properties of 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol?
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 297.35 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).