2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol

C13H18N2O3 — CID 170626607

IUPAC2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol
SMILESNc1cc(OC2CN(C3CCOC3)C2)ccc1O
InChIInChI=1S/C13H18N2O3/c14-12-5-10(1-2-13(12)16)18-11-6-15(7-11)9-3-4-17-8-9/h1-2,5,9,11,16H,3-4,6-8,14H2
InChIKeyHZJJGWOORMJYTN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol

2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol (PubChem CID 170626607) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol.

Molecular Properties

Compound Name2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol
PubChem CID170626607
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol
SMILESNc1cc(OC2CN(C3CCOC3)C2)ccc1O
InChIInChI=1S/C13H18N2O3/c14-12-5-10(1-2-13(12)16)18-11-6-15(7-11)9-3-4-17-8-9/h1-2,5,9,11,16H,3-4,6-8,14H2
InChIKeyHZJJGWOORMJYTN-UHFFFAOYSA-N
XLogP0.83
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol?
The IUPAC name of 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol (CID 170626607) is 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol.
What is the SMILES notation for 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol?
The canonical SMILES for 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol is Nc1cc(OC2CN(C3CCOC3)C2)ccc1O.
What is the InChIKey of 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol?
The InChIKey is HZJJGWOORMJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-12-5-10(1-2-13(12)16)18-11-6-15(7-11)9-3-4-17-8-9/h1-2,5,9,11,16H,3-4,6-8,14H2.
What are the key properties of 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol?
2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol has a molecular weight of 250.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(oxolan-3-yl)azetidin-3-yl]oxyphenol is sourced from PubChem (CID 170626607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).