2-[3-amino-2-(oxolan-3-yl)propoxy]phenol

C13H19NO3 — CID 117237737

IUPAC2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
SMILESNCC(COc1ccccc1O)C1CCOC1
InChIInChI=1S/C13H19NO3/c14-7-11(10-5-6-16-8-10)9-17-13-4-2-1-3-12(13)15/h1-4,10-11,15H,5-9,14H2
InChIKeyWMFPVUFRYDKOSN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.38
Rot. Bonds5

About 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol

2-[3-amino-2-(oxolan-3-yl)propoxy]phenol (PubChem CID 117237737) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol.

Molecular Properties

Compound Name2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
PubChem CID117237737
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
SMILESNCC(COc1ccccc1O)C1CCOC1
InChIInChI=1S/C13H19NO3/c14-7-11(10-5-6-16-8-10)9-17-13-4-2-1-3-12(13)15/h1-4,10-11,15H,5-9,14H2
InChIKeyWMFPVUFRYDKOSN-UHFFFAOYSA-N
XLogP1.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
CID 117245425
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-(2-amino-2-piperidin-4-ylethoxy)phenol
CID 117238741
2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238682
2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
3-amino-2-(oxolan-3-yl)propane-1-thiol
CID 117238038
3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
CID 105460621
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748413
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol?
The IUPAC name of 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol (CID 117237737) is 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol.
What is the SMILES notation for 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol?
The canonical SMILES for 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol is NCC(COc1ccccc1O)C1CCOC1.
What is the InChIKey of 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol?
The InChIKey is WMFPVUFRYDKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c14-7-11(10-5-6-16-8-10)9-17-13-4-2-1-3-12(13)15/h1-4,10-11,15H,5-9,14H2.
What are the key properties of 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol?
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol has a molecular weight of 237.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(oxolan-3-yl)propoxy]phenol is sourced from PubChem (CID 117237737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).