2-benzyl-1-phenylazetidine

C16H17N — CID 163998842

IUPAC2-benzyl-1-phenylazetidine
SMILESc1ccc(CC2CCN2c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-3-7-14(8-4-1)13-16-11-12-17(16)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyUHCSKYBGNRVBEQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.51
Rot. Bonds3

About 2-benzyl-1-phenylazetidine

2-benzyl-1-phenylazetidine (PubChem CID 163998842) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-benzyl-1-phenylazetidine.

Molecular Properties

Compound Name2-benzyl-1-phenylazetidine
PubChem CID163998842
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-benzyl-1-phenylazetidine
SMILESc1ccc(CC2CCN2c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-3-7-14(8-4-1)13-16-11-12-17(16)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyUHCSKYBGNRVBEQ-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 160880008
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
CID 3072413
2-benzyl-1-(4-nitrophenyl)piperidine-4-carboxylic acid
CID 70283065
(2R)-2-benzyl-1-methylaziridine
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[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane
CID 10881653
2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
CID 99872290

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-phenylazetidine?
The IUPAC name of 2-benzyl-1-phenylazetidine (CID 163998842) is 2-benzyl-1-phenylazetidine.
What is the SMILES notation for 2-benzyl-1-phenylazetidine?
The canonical SMILES for 2-benzyl-1-phenylazetidine is c1ccc(CC2CCN2c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-phenylazetidine?
The InChIKey is UHCSKYBGNRVBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-3-7-14(8-4-1)13-16-11-12-17(16)15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of 2-benzyl-1-phenylazetidine?
2-benzyl-1-phenylazetidine has a molecular weight of 223.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-phenylazetidine is sourced from PubChem (CID 163998842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).