3-phenyl-3-phenylmethoxyazetidine;hydrochloride

C16H18ClNO — CID 71727858

IUPAC3-phenyl-3-phenylmethoxyazetidine;hydrochloride
SMILESCl.c1ccc(COC2(c3ccccc3)CNC2)cc1
InChIInChI=1S/C16H17NO.ClH/c1-3-7-14(8-4-1)11-18-16(12-17-13-16)15-9-5-2-6-10-15;/h1-10,17H,11-13H2;1H
InChIKeyGDQMZBKARZJQRG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.12
Rot. Bonds4

About 3-phenyl-3-phenylmethoxyazetidine;hydrochloride

3-phenyl-3-phenylmethoxyazetidine;hydrochloride (PubChem CID 71727858) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-phenyl-3-phenylmethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-phenyl-3-phenylmethoxyazetidine;hydrochloride
PubChem CID71727858
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-phenyl-3-phenylmethoxyazetidine;hydrochloride
SMILESCl.c1ccc(COC2(c3ccccc3)CNC2)cc1
InChIInChI=1S/C16H17NO.ClH/c1-3-7-14(8-4-1)11-18-16(12-17-13-16)15-9-5-2-6-10-15;/h1-10,17H,11-13H2;1H
InChIKeyGDQMZBKARZJQRG-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
The IUPAC name of 3-phenyl-3-phenylmethoxyazetidine;hydrochloride (CID 71727858) is 3-phenyl-3-phenylmethoxyazetidine;hydrochloride.
What is the SMILES notation for 3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
The canonical SMILES for 3-phenyl-3-phenylmethoxyazetidine;hydrochloride is Cl.c1ccc(COC2(c3ccccc3)CNC2)cc1.
What is the InChIKey of 3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
The InChIKey is GDQMZBKARZJQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-3-7-14(8-4-1)11-18-16(12-17-13-16)15-9-5-2-6-10-15;/h1-10,17H,11-13H2;1H.
What are the key properties of 3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
3-phenyl-3-phenylmethoxyazetidine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-phenylmethoxyazetidine;hydrochloride is sourced from PubChem (CID 71727858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).