3-benzhydryloxyazetidine;hydrochloride

C16H18ClNO — CID 131885172

IUPAC3-benzhydryloxyazetidine;hydrochloride
SMILESCl.c1ccc(C(OC2CNC2)c2ccccc2)cc1
InChIInChI=1S/C16H17NO.ClH/c1-3-7-13(8-4-1)16(18-15-11-17-12-15)14-9-5-2-6-10-14;/h1-10,15-17H,11-12H2;1H
InChIKeyZEZYSHRTNVKABV-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.19
Rot. Bonds4

About 3-benzhydryloxyazetidine;hydrochloride

3-benzhydryloxyazetidine;hydrochloride (PubChem CID 131885172) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-benzhydryloxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-benzhydryloxyazetidine;hydrochloride
PubChem CID131885172
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-benzhydryloxyazetidine;hydrochloride
SMILESCl.c1ccc(C(OC2CNC2)c2ccccc2)cc1
InChIInChI=1S/C16H17NO.ClH/c1-3-7-13(8-4-1)16(18-15-11-17-12-15)14-9-5-2-6-10-14;/h1-10,15-17H,11-12H2;1H
InChIKeyZEZYSHRTNVKABV-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxyazetidine;hydrochloride?
The IUPAC name of 3-benzhydryloxyazetidine;hydrochloride (CID 131885172) is 3-benzhydryloxyazetidine;hydrochloride.
What is the SMILES notation for 3-benzhydryloxyazetidine;hydrochloride?
The canonical SMILES for 3-benzhydryloxyazetidine;hydrochloride is Cl.c1ccc(C(OC2CNC2)c2ccccc2)cc1.
What is the InChIKey of 3-benzhydryloxyazetidine;hydrochloride?
The InChIKey is ZEZYSHRTNVKABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-3-7-13(8-4-1)16(18-15-11-17-12-15)14-9-5-2-6-10-14;/h1-10,15-17H,11-12H2;1H.
What are the key properties of 3-benzhydryloxyazetidine;hydrochloride?
3-benzhydryloxyazetidine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxyazetidine;hydrochloride is sourced from PubChem (CID 131885172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).