3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride

C17H18Cl3NO — CID 73353570

IUPAC3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride
SMILESCN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H17Cl2NO.ClH/c1-20-11-17(12-20,14-5-3-2-4-6-14)21-10-13-7-8-15(18)16(19)9-13;/h2-9H,10-12H2,1H3;1H
InChIKeyNLRXCURQPWGJQS-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.77
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride

3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride (PubChem CID 73353570) has the molecular formula C17H18Cl3NO and a molecular weight of 358.70 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride
PubChem CID73353570
Molecular FormulaC17H18Cl3NO
Molecular Weight358.70 g/mol
Exact Mass357.05
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride
SMILESCN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H17Cl2NO.ClH/c1-20-11-17(12-20,14-5-3-2-4-6-14)21-10-13-7-8-15(18)16(19)9-13;/h2-9H,10-12H2,1H3;1H
InChIKeyNLRXCURQPWGJQS-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-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride (CID 73353570) is 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride is CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccccc2)C1.Cl.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride?
The InChIKey is NLRXCURQPWGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO.ClH/c1-20-11-17(12-20,14-5-3-2-4-6-14)21-10-13-7-8-15(18)16(19)9-13;/h2-9H,10-12H2,1H3;1H.
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride?
3-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;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-[(3,4-dichlorophenyl)methoxy]-1-methyl-3-phenylazetidine;hydrochloride is sourced from PubChem (CID 73353570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).