3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride

C17H18Cl3NO — CID 71727997

IUPAC3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride
SMILESCN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C17H17Cl2NO.ClH/c1-20-11-17(12-20,14-4-8-16(19)9-5-14)21-10-13-2-6-15(18)7-3-13;/h2-9H,10-12H2,1H3;1H
InChIKeyJRQPBALLGOMKDJ-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.77
Rot. Bonds4

About 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride

3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride (PubChem CID 71727997) has the molecular formula C17H18Cl3NO and a molecular weight of 358.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride
PubChem CID71727997
Molecular FormulaC17H18Cl3NO
Molecular Weight358.70 g/mol
Exact Mass357.05
IUPAC Name3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride
SMILESCN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C17H17Cl2NO.ClH/c1-20-11-17(12-20,14-4-8-16(19)9-5-14)21-10-13-2-6-15(18)7-3-13;/h2-9H,10-12H2,1H3;1H
InChIKeyJRQPBALLGOMKDJ-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride (CID 71727997) is 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride is CN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride?
The InChIKey is JRQPBALLGOMKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO.ClH/c1-20-11-17(12-20,14-4-8-16(19)9-5-14)21-10-13-2-6-15(18)7-3-13;/h2-9H,10-12H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride?
3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride has a molecular weight of 358.70 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-1-methylazetidine;hydrochloride is sourced from PubChem (CID 71727997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).