2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine

C14H18ClNO2 — CID 117423009

IUPAC2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
SMILESCCc1c2c(cc(Cl)c1C1(C)CCCN1)OCO2
InChIInChI=1S/C14H18ClNO2/c1-3-9-12(14(2)5-4-6-16-14)10(15)7-11-13(9)18-8-17-11/h7,16H,3-6,8H2,1-2H3
InChIKeyYIYOSWOOIZOOCJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.23
Rot. Bonds2

About 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine

2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine (PubChem CID 117423009) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
PubChem CID117423009
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
SMILESCCc1c2c(cc(Cl)c1C1(C)CCCN1)OCO2
InChIInChI=1S/C14H18ClNO2/c1-3-9-12(14(2)5-4-6-16-14)10(15)7-11-13(9)18-8-17-11/h7,16H,3-6,8H2,1-2H3
InChIKeyYIYOSWOOIZOOCJ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117387308
2-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423010
2-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117351983
2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117312549
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutan-1-amine
CID 117422934
2-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]-2-methylpyrrolidine
CID 117376091
4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine
CID 117423049
2-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117456976
2-(6-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423013
1-[1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117452425
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
2-[1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid
CID 117477986

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine (CID 117423009) is 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine is CCc1c2c(cc(Cl)c1C1(C)CCCN1)OCO2.
What is the InChIKey of 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine?
The InChIKey is YIYOSWOOIZOOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-9-12(14(2)5-4-6-16-14)10(15)7-11-13(9)18-8-17-11/h7,16H,3-6,8H2,1-2H3.
What are the key properties of 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine?
2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine has a molecular weight of 267.76 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine is sourced from PubChem (CID 117423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).