3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride

C16H16Cl3NO — CID 71727985

IUPAC3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride
SMILESCl.Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl
InChIInChI=1S/C16H15Cl2NO.ClH/c17-14-7-6-13(8-15(14)18)16(10-19-11-16)20-9-12-4-2-1-3-5-12;/h1-8,19H,9-11H2;1H
InChIKeyBTUMYLVQFIEIKF-UHFFFAOYSA-N
MW344.67 g/mol
LogP4.43
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride

3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride (PubChem CID 71727985) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride
PubChem CID71727985
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride
SMILESCl.Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl
InChIInChI=1S/C16H15Cl2NO.ClH/c17-14-7-6-13(8-15(14)18)16(10-19-11-16)20-9-12-4-2-1-3-5-12;/h1-8,19H,9-11H2;1H
InChIKeyBTUMYLVQFIEIKF-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride (CID 71727985) is 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride is Cl.Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
The InChIKey is BTUMYLVQFIEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO.ClH/c17-14-7-6-13(8-15(14)18)16(10-19-11-16)20-9-12-4-2-1-3-5-12;/h1-8,19H,9-11H2;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride has a molecular weight of 344.67 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine;hydrochloride is sourced from PubChem (CID 71727985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).