1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine

C12H16ClNO — CID 175883284

IUPAC1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
SMILESCOc1ccc(C(C)N2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(14-6-3-7-14)11-5-4-10(15-2)8-12(11)13/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyKREBSAUDOIWQIK-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds3

About 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine

1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine (PubChem CID 175883284) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine.

Molecular Properties

Compound Name1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
PubChem CID175883284
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
SMILESCOc1ccc(C(C)N2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(14-6-3-7-14)11-5-4-10(15-2)8-12(11)13/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyKREBSAUDOIWQIK-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82974711
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(2-chloro-4-methoxyphenyl)methanediamine
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chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-(2-chloroethyl)-4-[1-(2,4-dimethoxyphenyl)ethyl]piperazine
CID 4741631
1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine
CID 82305391
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
4-[[3-[3-chloro-4-(1-pyrrolidin-1-ylethyl)phenoxy]cyclobutyl]methyl]morpholine
CID 68618870
[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
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CID 104521148

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine?
The IUPAC name of 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine (CID 175883284) is 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine.
What is the SMILES notation for 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine?
The canonical SMILES for 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine is COc1ccc(C(C)N2CCC2)c(Cl)c1.
What is the InChIKey of 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine?
The InChIKey is KREBSAUDOIWQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(14-6-3-7-14)11-5-4-10(15-2)8-12(11)13/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine?
1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine is sourced from PubChem (CID 175883284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).