3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine

C17H17Cl2NO — CID 71728115

IUPAC3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine
SMILESCN1CC(OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2NO/c1-20-11-17(12-20,14-7-8-15(18)16(19)9-14)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3
InChIKeyDLCBNSFEKFJPNX-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.35
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine

3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine (PubChem CID 71728115) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine
PubChem CID71728115
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine
SMILESCN1CC(OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2NO/c1-20-11-17(12-20,14-7-8-15(18)16(19)9-14)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3
InChIKeyDLCBNSFEKFJPNX-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.35
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)-1-methyl-3-phenylmethoxyazetidine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine (CID 71728115) is 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine is CN1CC(OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine?
The InChIKey is DLCBNSFEKFJPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-20-11-17(12-20,14-7-8-15(18)16(19)9-14)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine?
3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine has a molecular weight of 322.24 g/mol, XLogP of 4.35, 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)-1-methyl-3-phenylmethoxyazetidine is sourced from PubChem (CID 71728115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).