1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride

C17H20ClNO — CID 71727991

IUPAC1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride
SMILESCN1CC(OCc2ccccc2)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-13-17(14-18,16-10-6-3-7-11-16)19-12-15-8-4-2-5-9-15;/h2-11H,12-14H2,1H3;1H
InChIKeyUFLAOMKICBNJHO-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.47
Rot. Bonds4

About 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride

1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride (PubChem CID 71727991) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride
PubChem CID71727991
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride
SMILESCN1CC(OCc2ccccc2)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-13-17(14-18,16-10-6-3-7-11-16)19-12-15-8-4-2-5-9-15;/h2-11H,12-14H2,1H3;1H
InChIKeyUFLAOMKICBNJHO-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
The IUPAC name of 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride (CID 71727991) is 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride.
What is the SMILES notation for 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
The canonical SMILES for 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride is CN1CC(OCc2ccccc2)(c2ccccc2)C1.Cl.
What is the InChIKey of 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
The InChIKey is UFLAOMKICBNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18-13-17(14-18,16-10-6-3-7-11-16)19-12-15-8-4-2-5-9-15;/h2-11H,12-14H2,1H3;1H.
What are the key properties of 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride?
1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride is sourced from PubChem (CID 71727991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).