4-amino-2-[(2R)-azetidin-2-yl]phenol

C9H12N2O — CID 131014546

IUPAC4-amino-2-[(2R)-azetidin-2-yl]phenol
SMILESNc1ccc(O)c([C@H]2CCN2)c1
InChIInChI=1S/C9H12N2O/c10-6-1-2-9(12)7(5-6)8-3-4-11-8/h1-2,5,8,11-12H,3-4,10H2/t8-/m1/s1
InChIKeyNAJVOCNNJPVTOB-MRVPVSSYSA-N
MW164.21 g/mol
LogP1.01
Rot. Bonds1

About 4-amino-2-[(2R)-azetidin-2-yl]phenol

4-amino-2-[(2R)-azetidin-2-yl]phenol (PubChem CID 131014546) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-amino-2-[(2R)-azetidin-2-yl]phenol.

Molecular Properties

Compound Name4-amino-2-[(2R)-azetidin-2-yl]phenol
PubChem CID131014546
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-amino-2-[(2R)-azetidin-2-yl]phenol
SMILESNc1ccc(O)c([C@H]2CCN2)c1
InChIInChI=1S/C9H12N2O/c10-6-1-2-9(12)7(5-6)8-3-4-11-8/h1-2,5,8,11-12H,3-4,10H2/t8-/m1/s1
InChIKeyNAJVOCNNJPVTOB-MRVPVSSYSA-N
XLogP1.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2R)-azetidin-2-yl]phenol?
The IUPAC name of 4-amino-2-[(2R)-azetidin-2-yl]phenol (CID 131014546) is 4-amino-2-[(2R)-azetidin-2-yl]phenol.
What is the SMILES notation for 4-amino-2-[(2R)-azetidin-2-yl]phenol?
The canonical SMILES for 4-amino-2-[(2R)-azetidin-2-yl]phenol is Nc1ccc(O)c([C@H]2CCN2)c1.
What is the InChIKey of 4-amino-2-[(2R)-azetidin-2-yl]phenol?
The InChIKey is NAJVOCNNJPVTOB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-6-1-2-9(12)7(5-6)8-3-4-11-8/h1-2,5,8,11-12H,3-4,10H2/t8-/m1/s1.
What are the key properties of 4-amino-2-[(2R)-azetidin-2-yl]phenol?
4-amino-2-[(2R)-azetidin-2-yl]phenol has a molecular weight of 164.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2R)-azetidin-2-yl]phenol is sourced from PubChem (CID 131014546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).