1-benzhydrylazetidine

C16H17N — CID 2802895

IUPAC1-benzhydrylazetidine
SMILESc1ccc(C(c2ccccc2)N2CCC2)cc1
InChIInChI=1S/C16H17N/c1-3-8-14(9-4-1)16(17-12-7-13-17)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyAZHWVHNIAGJINK-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.48
Rot. Bonds3

About 1-benzhydrylazetidine

1-benzhydrylazetidine (PubChem CID 2802895) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-benzhydrylazetidine.

Molecular Properties

Compound Name1-benzhydrylazetidine
PubChem CID2802895
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-benzhydrylazetidine
SMILESc1ccc(C(c2ccccc2)N2CCC2)cc1
InChIInChI=1S/C16H17N/c1-3-8-14(9-4-1)16(17-12-7-13-17)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyAZHWVHNIAGJINK-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylazetidine?
The IUPAC name of 1-benzhydrylazetidine (CID 2802895) is 1-benzhydrylazetidine.
What is the SMILES notation for 1-benzhydrylazetidine?
The canonical SMILES for 1-benzhydrylazetidine is c1ccc(C(c2ccccc2)N2CCC2)cc1.
What is the InChIKey of 1-benzhydrylazetidine?
The InChIKey is AZHWVHNIAGJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-3-8-14(9-4-1)16(17-12-7-13-17)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2.
What are the key properties of 1-benzhydrylazetidine?
1-benzhydrylazetidine has a molecular weight of 223.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylazetidine is sourced from PubChem (CID 2802895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).