3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol

C15H23NO4 — CID 107268272

IUPAC3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCOc1cccc(CNCC2(O)CCOC2C)c1OC
InChIInChI=1S/C15H23NO4/c1-11-15(17,7-8-20-11)10-16-9-12-5-4-6-13(18-2)14(12)19-3/h4-6,11,16-17H,7-10H2,1-3H3
InChIKeyAULPYOZNRBMHHV-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.33
Rot. Bonds6

About 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107268272) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107268272
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCOc1cccc(CNCC2(O)CCOC2C)c1OC
InChIInChI=1S/C15H23NO4/c1-11-15(17,7-8-20-11)10-16-9-12-5-4-6-13(18-2)14(12)19-3/h4-6,11,16-17H,7-10H2,1-3H3
InChIKeyAULPYOZNRBMHHV-UHFFFAOYSA-N
XLogP1.33
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol 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-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268212
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267379
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107268272) is 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol is COc1cccc(CNCC2(O)CCOC2C)c1OC.
What is the InChIKey of 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is AULPYOZNRBMHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-15(17,7-8-20-11)10-16-9-12-5-4-6-13(18-2)14(12)19-3/h4-6,11,16-17H,7-10H2,1-3H3.
What are the key properties of 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 281.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).