2-methyl-4-(4-propan-2-ylphenyl)azetidine

C13H19N — CID 116821931

IUPAC2-methyl-4-(4-propan-2-ylphenyl)azetidine
SMILESCC1CC(c2ccc(C(C)C)cc2)N1
InChIInChI=1S/C13H19N/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14-13/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyRPIFWGDBFJZTLB-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds2

About 2-methyl-4-(4-propan-2-ylphenyl)azetidine

2-methyl-4-(4-propan-2-ylphenyl)azetidine (PubChem CID 116821931) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-ylphenyl)azetidine.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-ylphenyl)azetidine
PubChem CID116821931
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-methyl-4-(4-propan-2-ylphenyl)azetidine
SMILESCC1CC(c2ccc(C(C)C)cc2)N1
InChIInChI=1S/C13H19N/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14-13/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyRPIFWGDBFJZTLB-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-ylphenyl)azetidine?
The IUPAC name of 2-methyl-4-(4-propan-2-ylphenyl)azetidine (CID 116821931) is 2-methyl-4-(4-propan-2-ylphenyl)azetidine.
What is the SMILES notation for 2-methyl-4-(4-propan-2-ylphenyl)azetidine?
The canonical SMILES for 2-methyl-4-(4-propan-2-ylphenyl)azetidine is CC1CC(c2ccc(C(C)C)cc2)N1.
What is the InChIKey of 2-methyl-4-(4-propan-2-ylphenyl)azetidine?
The InChIKey is RPIFWGDBFJZTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14-13/h4-7,9-10,13-14H,8H2,1-3H3.
What are the key properties of 2-methyl-4-(4-propan-2-ylphenyl)azetidine?
2-methyl-4-(4-propan-2-ylphenyl)azetidine has a molecular weight of 189.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propan-2-ylphenyl)azetidine is sourced from PubChem (CID 116821931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).