1-methyl-2-phenylazetidine

C10H13N — CID 576373

IUPAC1-methyl-2-phenylazetidine
SMILESCN1CCC1c1ccccc1
InChIInChI=1S/C10H13N/c1-11-8-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyRNZMCZCIMIXBAA-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-2-phenylazetidine

1-methyl-2-phenylazetidine (PubChem CID 576373) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-methyl-2-phenylazetidine.

Molecular Properties

Compound Name1-methyl-2-phenylazetidine
PubChem CID576373
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-methyl-2-phenylazetidine
SMILESCN1CCC1c1ccccc1
InChIInChI=1S/C10H13N/c1-11-8-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyRNZMCZCIMIXBAA-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylazetidine?
The IUPAC name of 1-methyl-2-phenylazetidine (CID 576373) is 1-methyl-2-phenylazetidine.
What is the SMILES notation for 1-methyl-2-phenylazetidine?
The canonical SMILES for 1-methyl-2-phenylazetidine is CN1CCC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylazetidine?
The InChIKey is RNZMCZCIMIXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-11-8-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 1-methyl-2-phenylazetidine?
1-methyl-2-phenylazetidine has a molecular weight of 147.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylazetidine is sourced from PubChem (CID 576373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).