2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol

C13H19NO3 — CID 107712028

IUPAC2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1c(O)cccc1O)N(C)C1CCOC1
InChIInChI=1S/C13H19NO3/c1-9(14(2)10-6-7-17-8-10)13-11(15)4-3-5-12(13)16/h3-5,9-10,15-16H,6-8H2,1-2H3
InChIKeyXAPDXGJPSZQZPY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds3

About 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol

2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol (PubChem CID 107712028) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
PubChem CID107712028
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1c(O)cccc1O)N(C)C1CCOC1
InChIInChI=1S/C13H19NO3/c1-9(14(2)10-6-7-17-8-10)13-11(15)4-3-5-12(13)16/h3-5,9-10,15-16H,6-8H2,1-2H3
InChIKeyXAPDXGJPSZQZPY-UHFFFAOYSA-N
XLogP1.88
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107711831
(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056
(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742145
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 82754002
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
2-(2-hydroxyphenyl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 80717573

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol (CID 107712028) is 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol is CC(c1c(O)cccc1O)N(C)C1CCOC1.
What is the InChIKey of 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol?
The InChIKey is XAPDXGJPSZQZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(14(2)10-6-7-17-8-10)13-11(15)4-3-5-12(13)16/h3-5,9-10,15-16H,6-8H2,1-2H3.
What are the key properties of 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol?
2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol has a molecular weight of 237.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107712028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).