3-ethyl-3-methyl-2-(4-methylphenyl)azetidine

C13H19N — CID 130575152

IUPAC3-ethyl-3-methyl-2-(4-methylphenyl)azetidine
SMILESCCC1(C)CNC1c1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-4-13(3)9-14-12(13)11-7-5-10(2)6-8-11/h5-8,12,14H,4,9H2,1-3H3
InChIKeyUSZNSPRJZNDFOS-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds2

About 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine

3-ethyl-3-methyl-2-(4-methylphenyl)azetidine (PubChem CID 130575152) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-ethyl-3-methyl-2-(4-methylphenyl)azetidine
PubChem CID130575152
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-ethyl-3-methyl-2-(4-methylphenyl)azetidine
SMILESCCC1(C)CNC1c1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-4-13(3)9-14-12(13)11-7-5-10(2)6-8-11/h5-8,12,14H,4,9H2,1-3H3
InChIKeyUSZNSPRJZNDFOS-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine?
The IUPAC name of 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine (CID 130575152) is 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine.
What is the SMILES notation for 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine?
The canonical SMILES for 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine is CCC1(C)CNC1c1ccc(C)cc1.
What is the InChIKey of 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine?
The InChIKey is USZNSPRJZNDFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-13(3)9-14-12(13)11-7-5-10(2)6-8-11/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine?
3-ethyl-3-methyl-2-(4-methylphenyl)azetidine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2-(4-methylphenyl)azetidine is sourced from PubChem (CID 130575152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).