4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol

C14H21NO4 — CID 104759725

IUPAC4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
SMILESCOC1(CNC(C)c2ccc(O)cc2O)CCOC1
InChIInChI=1S/C14H21NO4/c1-10(12-4-3-11(16)7-13(12)17)15-8-14(18-2)5-6-19-9-14/h3-4,7,10,15-17H,5-6,8-9H2,1-2H3
InChIKeyGVWIALAFUHTCKW-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.55
Rot. Bonds5

About 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol

4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 104759725) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
PubChem CID104759725
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
SMILESCOC1(CNC(C)c2ccc(O)cc2O)CCOC1
InChIInChI=1S/C14H21NO4/c1-10(12-4-3-11(16)7-13(12)17)15-8-14(18-2)5-6-19-9-14/h3-4,7,10,15-17H,5-6,8-9H2,1-2H3
InChIKeyGVWIALAFUHTCKW-UHFFFAOYSA-N
XLogP1.55
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-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

3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol (CID 104759725) is 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol is COC1(CNC(C)c2ccc(O)cc2O)CCOC1.
What is the InChIKey of 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is GVWIALAFUHTCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(12-4-3-11(16)7-13(12)17)15-8-14(18-2)5-6-19-9-14/h3-4,7,10,15-17H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol?
4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 267.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 104759725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).