3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride

C17H19Cl2NO — CID 71727995

IUPAC3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride
SMILESCN1CC(OCc2ccccc2)(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C17H18ClNO.ClH/c1-19-12-17(13-19,15-7-9-16(18)10-8-15)20-11-14-5-3-2-4-6-14;/h2-10H,11-13H2,1H3;1H
InChIKeyROWDRLCDIRYRIZ-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.12
Rot. Bonds4

About 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride

3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride (PubChem CID 71727995) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride
PubChem CID71727995
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride
SMILESCN1CC(OCc2ccccc2)(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C17H18ClNO.ClH/c1-19-12-17(13-19,15-7-9-16(18)10-8-15)20-11-14-5-3-2-4-6-14;/h2-10H,11-13H2,1H3;1H
InChIKeyROWDRLCDIRYRIZ-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride (CID 71727995) is 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride is CN1CC(OCc2ccccc2)(c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride?
The InChIKey is ROWDRLCDIRYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO.ClH/c1-19-12-17(13-19,15-7-9-16(18)10-8-15)20-11-14-5-3-2-4-6-14;/h2-10H,11-13H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride?
3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride has a molecular weight of 324.25 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-3-phenylmethoxyazetidine;hydrochloride is sourced from PubChem (CID 71727995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).