2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine

C14H18ClNO3 — CID 117456233

IUPAC2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine
SMILESCOc1c(C2(C)CCCN2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C14H18ClNO3/c1-14(4-3-5-16-14)9-8-10-13(19-7-6-18-10)11(15)12(9)17-2/h8,16H,3-7H2,1-2H3
InChIKeyOVUXUJQYNDEZRE-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine

2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine (PubChem CID 117456233) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine
PubChem CID117456233
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine
SMILESCOc1c(C2(C)CCCN2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C14H18ClNO3/c1-14(4-3-5-16-14)9-8-10-13(19-7-6-18-10)11(15)12(9)17-2/h8,16H,3-7H2,1-2H3
InChIKeyOVUXUJQYNDEZRE-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidine
CID 117387306
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117351983
2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117452830
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
CID 117463453
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine
CID 104688037
2-(6-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423013
2-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117456976
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine (CID 117456233) is 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine is COc1c(C2(C)CCCN2)cc2c(c1Cl)OCCO2.
What is the InChIKey of 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine?
The InChIKey is OVUXUJQYNDEZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(4-3-5-16-14)9-8-10-13(19-7-6-18-10)11(15)12(9)17-2/h8,16H,3-7H2,1-2H3.
What are the key properties of 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine?
2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine has a molecular weight of 283.75 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine is sourced from PubChem (CID 117456233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).