1-(2-aminophenyl)-3-methylazetidin-3-ol

C10H14N2O — CID 89157773

IUPAC1-(2-aminophenyl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2ccccc2N)C1
InChIInChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-5-3-2-4-8(9)11/h2-5,13H,6-7,11H2,1H3
InChIKeyBVDFJQINYIIRFU-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.84
Rot. Bonds1

About 1-(2-aminophenyl)-3-methylazetidin-3-ol

1-(2-aminophenyl)-3-methylazetidin-3-ol (PubChem CID 89157773) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-methylazetidin-3-ol
PubChem CID89157773
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(2-aminophenyl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2ccccc2N)C1
InChIInChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-5-3-2-4-8(9)11/h2-5,13H,6-7,11H2,1H3
InChIKeyBVDFJQINYIIRFU-UHFFFAOYSA-N
XLogP0.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(2-aminophenyl)-3-methylazetidin-3-ol (CID 89157773) is 1-(2-aminophenyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(2-aminophenyl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(2-aminophenyl)-3-methylazetidin-3-ol is CC1(O)CN(c2ccccc2N)C1.
What is the InChIKey of 1-(2-aminophenyl)-3-methylazetidin-3-ol?
The InChIKey is BVDFJQINYIIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-5-3-2-4-8(9)11/h2-5,13H,6-7,11H2,1H3.
What are the key properties of 1-(2-aminophenyl)-3-methylazetidin-3-ol?
1-(2-aminophenyl)-3-methylazetidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 89157773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).