1-(4-aminophenyl)-3-methylazetidin-3-ol

C10H14N2O — CID 67016260

IUPAC1-(4-aminophenyl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2ccc(N)cc2)C1
InChIInChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-4-2-8(11)3-5-9/h2-5,13H,6-7,11H2,1H3
InChIKeyNCUZEVSFBMYAIP-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.84
Rot. Bonds1

About 1-(4-aminophenyl)-3-methylazetidin-3-ol

1-(4-aminophenyl)-3-methylazetidin-3-ol (PubChem CID 67016260) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-methylazetidin-3-ol
PubChem CID67016260
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(4-aminophenyl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2ccc(N)cc2)C1
InChIInChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-4-2-8(11)3-5-9/h2-5,13H,6-7,11H2,1H3
InChIKeyNCUZEVSFBMYAIP-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-3-methylazetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(4-aminophenyl)-3-methylazetidin-3-ol (CID 67016260) is 1-(4-aminophenyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(4-aminophenyl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(4-aminophenyl)-3-methylazetidin-3-ol is CC1(O)CN(c2ccc(N)cc2)C1.
What is the InChIKey of 1-(4-aminophenyl)-3-methylazetidin-3-ol?
The InChIKey is NCUZEVSFBMYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-4-2-8(11)3-5-9/h2-5,13H,6-7,11H2,1H3.
What are the key properties of 1-(4-aminophenyl)-3-methylazetidin-3-ol?
1-(4-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-(4-aminophenyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 67016260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).