1-[(2,3-dichlorophenyl)methyl]azetidine

C10H11Cl2N — CID 131042479

IUPAC1-[(2,3-dichlorophenyl)methyl]azetidine
SMILESClc1cccc(CN2CCC2)c1Cl
InChIInChI=1S/C10H11Cl2N/c11-9-4-1-3-8(10(9)12)7-13-5-2-6-13/h1,3-4H,2,5-7H2
InChIKeyPZUKESOPLKBPIO-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.20
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]azetidine

1-[(2,3-dichlorophenyl)methyl]azetidine (PubChem CID 131042479) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]azetidine
PubChem CID131042479
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name1-[(2,3-dichlorophenyl)methyl]azetidine
SMILESClc1cccc(CN2CCC2)c1Cl
InChIInChI=1S/C10H11Cl2N/c11-9-4-1-3-8(10(9)12)7-13-5-2-6-13/h1,3-4H,2,5-7H2
InChIKeyPZUKESOPLKBPIO-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107310531
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine
CID 154024589
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]azetidine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]azetidine (CID 131042479) is 1-[(2,3-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]azetidine is Clc1cccc(CN2CCC2)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]azetidine?
The InChIKey is PZUKESOPLKBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-9-4-1-3-8(10(9)12)7-13-5-2-6-13/h1,3-4H,2,5-7H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]azetidine?
1-[(2,3-dichlorophenyl)methyl]azetidine has a molecular weight of 216.11 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 131042479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).