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

C16H17Cl2NO — CID 71727864

IUPAC3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride
SMILESCl.Clc1ccc(C2(OCc3ccccc3)CNC2)cc1
InChIInChI=1S/C16H16ClNO.ClH/c17-15-8-6-14(7-9-15)16(11-18-12-16)19-10-13-4-2-1-3-5-13;/h1-9,18H,10-12H2;1H
InChIKeyYUCFFGQDNHMKPR-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.78
Rot. Bonds4

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

3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride (PubChem CID 71727864) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride
PubChem CID71727864
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride
SMILESCl.Clc1ccc(C2(OCc3ccccc3)CNC2)cc1
InChIInChI=1S/C16H16ClNO.ClH/c17-15-8-6-14(7-9-15)16(11-18-12-16)19-10-13-4-2-1-3-5-13;/h1-9,18H,10-12H2;1H
InChIKeyYUCFFGQDNHMKPR-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2805
Chlorphenoxamine
CID 6475
Cloperastine Hydrochloride
CID 161104
Clofenetamine
CID 71812
Mecloxamine
CID 3045406
Chlorphenoxamine Hydrochloride
CID 11223
Clofenciclan
CID 25904
Levocloperastine
CID 688420
Setastine
CID 43082
alpha-[(Butylamino)methyl]-4-chloro-alpha-(4-chlorophenyl)benzenemethanol
CID 3257554
3-[(3,4-Dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride
CID 73353570
Clofenetamine Hydrochloride
CID 71811

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride (CID 71727864) is 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride is Cl.Clc1ccc(C2(OCc3ccccc3)CNC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
The InChIKey is YUCFFGQDNHMKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO.ClH/c17-15-8-6-14(7-9-15)16(11-18-12-16)19-10-13-4-2-1-3-5-13;/h1-9,18H,10-12H2;1H.
What are the key properties of 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride?
3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride has a molecular weight of 310.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-phenylmethoxyazetidine;hydrochloride is sourced from PubChem (CID 71727864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).