3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine

C12H15Cl2N — CID 107310931

IUPAC3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
SMILESCCC1(Cc2cccc(Cl)c2Cl)CNC1
InChIInChI=1S/C12H15Cl2N/c1-2-12(7-15-8-12)6-9-4-3-5-10(13)11(9)14/h3-5,15H,2,6-8H2,1H3
InChIKeyLLGMIPSLXGNUQJ-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.54
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine

3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine (PubChem CID 107310931) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
PubChem CID107310931
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
SMILESCCC1(Cc2cccc(Cl)c2Cl)CNC1
InChIInChI=1S/C12H15Cl2N/c1-2-12(7-15-8-12)6-9-4-3-5-10(13)11(9)14/h3-5,15H,2,6-8H2,1H3
InChIKeyLLGMIPSLXGNUQJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 107310506
[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol
CID 107310746
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
CID 112654969
4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol
CID 114240656
[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine
CID 107310660
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine (CID 107310931) is 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine is CCC1(Cc2cccc(Cl)c2Cl)CNC1.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine?
The InChIKey is LLGMIPSLXGNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-2-12(7-15-8-12)6-9-4-3-5-10(13)11(9)14/h3-5,15H,2,6-8H2,1H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine?
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine has a molecular weight of 244.16 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine is sourced from PubChem (CID 107310931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).