1-(4-methylphenyl)azetidine

C10H13N — CID 14270656

IUPAC1-(4-methylphenyl)azetidine
SMILESCc1ccc(N2CCC2)cc1
InChIInChI=1S/C10H13N/c1-9-3-5-10(6-4-9)11-7-2-8-11/h3-6H,2,7-8H2,1H3
InChIKeyZXSMIXKEWDMJAA-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.21
Rot. Bonds1

About 1-(4-methylphenyl)azetidine

1-(4-methylphenyl)azetidine (PubChem CID 14270656) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name1-(4-methylphenyl)azetidine
PubChem CID14270656
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-(4-methylphenyl)azetidine
SMILESCc1ccc(N2CCC2)cc1
InChIInChI=1S/C10H13N/c1-9-3-5-10(6-4-9)11-7-2-8-11/h3-6H,2,7-8H2,1H3
InChIKeyZXSMIXKEWDMJAA-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)azetidine?
The IUPAC name of 1-(4-methylphenyl)azetidine (CID 14270656) is 1-(4-methylphenyl)azetidine.
What is the SMILES notation for 1-(4-methylphenyl)azetidine?
The canonical SMILES for 1-(4-methylphenyl)azetidine is Cc1ccc(N2CCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)azetidine?
The InChIKey is ZXSMIXKEWDMJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-9-3-5-10(6-4-9)11-7-2-8-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(4-methylphenyl)azetidine?
1-(4-methylphenyl)azetidine has a molecular weight of 147.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)azetidine is sourced from PubChem (CID 14270656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).