3-(3-methyl-4-propan-2-yloxyphenyl)azetidine

C13H19NO — CID 82283172

IUPAC3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
SMILESCc1cc(C2CNC2)ccc1OC(C)C
InChIInChI=1S/C13H19NO/c1-9(2)15-13-5-4-11(6-10(13)3)12-7-14-8-12/h4-6,9,12,14H,7-8H2,1-3H3
InChIKeyIIQVZDVPBLNHNH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds3

About 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine

3-(3-methyl-4-propan-2-yloxyphenyl)azetidine (PubChem CID 82283172) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine.

Molecular Properties

Compound Name3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
PubChem CID82283172
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
SMILESCc1cc(C2CNC2)ccc1OC(C)C
InChIInChI=1S/C13H19NO/c1-9(2)15-13-5-4-11(6-10(13)3)12-7-14-8-12/h4-6,9,12,14H,7-8H2,1-3H3
InChIKeyIIQVZDVPBLNHNH-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine 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 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine?
The IUPAC name of 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine (CID 82283172) is 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine.
What is the SMILES notation for 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine?
The canonical SMILES for 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine is Cc1cc(C2CNC2)ccc1OC(C)C.
What is the InChIKey of 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine?
The InChIKey is IIQVZDVPBLNHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)15-13-5-4-11(6-10(13)3)12-7-14-8-12/h4-6,9,12,14H,7-8H2,1-3H3.
What are the key properties of 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine?
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine has a molecular weight of 205.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-propan-2-yloxyphenyl)azetidine is sourced from PubChem (CID 82283172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).