2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine

C16H25N — CID 58813629

IUPAC2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine
SMILESCc1c(C)c(C)c(N2C(C)CC2C)c(C)c1C
InChIInChI=1S/C16H25N/c1-9-8-10(2)17(9)16-14(6)12(4)11(3)13(5)15(16)7/h9-10H,8H2,1-7H3
InChIKeyNAQSTOVOAXUAHG-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds1

About 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine

2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine (PubChem CID 58813629) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine
PubChem CID58813629
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine
SMILESCc1c(C)c(C)c(N2C(C)CC2C)c(C)c1C
InChIInChI=1S/C16H25N/c1-9-8-10(2)17(9)16-14(6)12(4)11(3)13(5)15(16)7/h9-10H,8H2,1-7H3
InChIKeyNAQSTOVOAXUAHG-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine?
The IUPAC name of 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine (CID 58813629) is 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine.
What is the SMILES notation for 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine?
The canonical SMILES for 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine is Cc1c(C)c(C)c(N2C(C)CC2C)c(C)c1C.
What is the InChIKey of 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine?
The InChIKey is NAQSTOVOAXUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-9-8-10(2)17(9)16-14(6)12(4)11(3)13(5)15(16)7/h9-10H,8H2,1-7H3.
What are the key properties of 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine?
2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine is sourced from PubChem (CID 58813629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).