1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol

C15H24N2O2 — CID 77093834

IUPAC1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol
SMILESCN(C)CCCOc1cccc(CN2CC(O)C2)c1
InChIInChI=1S/C15H24N2O2/c1-16(2)7-4-8-19-15-6-3-5-13(9-15)10-17-11-14(18)12-17/h3,5-6,9,14,18H,4,7-8,10-12H2,1-2H3
InChIKeyQUGNOYMHYKGBOX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds7

About 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol

1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol (PubChem CID 77093834) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol
PubChem CID77093834
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol
SMILESCN(C)CCCOc1cccc(CN2CC(O)C2)c1
InChIInChI=1S/C15H24N2O2/c1-16(2)7-4-8-19-15-6-3-5-13(9-15)10-17-11-14(18)12-17/h3,5-6,9,14,18H,4,7-8,10-12H2,1-2H3
InChIKeyQUGNOYMHYKGBOX-UHFFFAOYSA-N
XLogP1.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-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-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol (CID 77093834) is 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol is CN(C)CCCOc1cccc(CN2CC(O)C2)c1.
What is the InChIKey of 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol?
The InChIKey is QUGNOYMHYKGBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16(2)7-4-8-19-15-6-3-5-13(9-15)10-17-11-14(18)12-17/h3,5-6,9,14,18H,4,7-8,10-12H2,1-2H3.
What are the key properties of 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol?
1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 77093834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).