3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine

C15H23N — CID 126490319

IUPAC3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine
SMILESCc1ccc(CC2CNC2)c(C(C)(C)C)c1
InChIInChI=1S/C15H23N/c1-11-5-6-13(8-12-9-16-10-12)14(7-11)15(2,3)4/h5-7,12,16H,8-10H2,1-4H3
InChIKeySSHIYUPBUHTAMI-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.05
Rot. Bonds2

About 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine

3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine (PubChem CID 126490319) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine
PubChem CID126490319
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine
SMILESCc1ccc(CC2CNC2)c(C(C)(C)C)c1
InChIInChI=1S/C15H23N/c1-11-5-6-13(8-12-9-16-10-12)14(7-11)15(2,3)4/h5-7,12,16H,8-10H2,1-4H3
InChIKeySSHIYUPBUHTAMI-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine?
The IUPAC name of 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine (CID 126490319) is 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine is Cc1ccc(CC2CNC2)c(C(C)(C)C)c1.
What is the InChIKey of 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine?
The InChIKey is SSHIYUPBUHTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-5-6-13(8-12-9-16-10-12)14(7-11)15(2,3)4/h5-7,12,16H,8-10H2,1-4H3.
What are the key properties of 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine?
3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine has a molecular weight of 217.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine is sourced from PubChem (CID 126490319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).