2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol

C13H19NO — CID 104549809

IUPAC2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
SMILESCC(C)(O)CN1CC(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-13(2,15)10-14-8-12(9-14)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyDMPJUQRZXPYNNN-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol

2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol (PubChem CID 104549809) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
PubChem CID104549809
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
SMILESCC(C)(O)CN1CC(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-13(2,15)10-14-8-12(9-14)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyDMPJUQRZXPYNNN-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-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 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol (CID 104549809) is 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol is CC(C)(O)CN1CC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol?
The InChIKey is DMPJUQRZXPYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,15)10-14-8-12(9-14)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3.
What are the key properties of 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol?
2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol is sourced from PubChem (CID 104549809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).