3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine

C17H17Cl2NO — CID 79461001

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
SMILESCOc1ccc(Cl)cc1CC1(c2ccccc2Cl)CNC1
InChIInChI=1S/C17H17Cl2NO/c1-21-16-7-6-13(18)8-12(16)9-17(10-20-11-17)14-4-2-3-5-15(14)19/h2-8,20H,9-11H2,1H3
InChIKeyJBAJQIFBDMVPMR-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.09
Rot. Bonds4

About 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine

3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine (PubChem CID 79461001) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
PubChem CID79461001
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
SMILESCOc1ccc(Cl)cc1CC1(c2ccccc2Cl)CNC1
InChIInChI=1S/C17H17Cl2NO/c1-21-16-7-6-13(18)8-12(16)9-17(10-20-11-17)14-4-2-3-5-15(14)19/h2-8,20H,9-11H2,1H3
InChIKeyJBAJQIFBDMVPMR-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
3-(2-chlorophenyl)-3-decylazetidine
CID 79460995
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine
CID 79459915
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine (CID 79461001) is 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine is COc1ccc(Cl)cc1CC1(c2ccccc2Cl)CNC1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine?
The InChIKey is JBAJQIFBDMVPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-21-16-7-6-13(18)8-12(16)9-17(10-20-11-17)14-4-2-3-5-15(14)19/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine?
3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine has a molecular weight of 322.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine is sourced from PubChem (CID 79461001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).