1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine

C15H21NO2 — CID 144811231

IUPAC1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
SMILESCC1CN(CCCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H21NO2/c1-12-10-16(11-12)6-2-3-13-4-5-14-15(9-13)18-8-7-17-14/h4-5,9,12H,2-3,6-8,10-11H2,1H3
InChIKeyDJLFHEWMLANSFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds4

About 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine

1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine (PubChem CID 144811231) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
PubChem CID144811231
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
SMILESCC1CN(CCCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H21NO2/c1-12-10-16(11-12)6-2-3-13-4-5-14-15(9-13)18-8-7-17-14/h4-5,9,12H,2-3,6-8,10-11H2,1H3
InChIKeyDJLFHEWMLANSFV-UHFFFAOYSA-N
XLogP2.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
3-(4-chlorophenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 155273075
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1,3-dihydroisoindol-5-yl]ethanone
CID 155273026
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
3-[2-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-3-azabicyclo[3.2.1]octane
CID 68972233
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111274551
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine;ethane;1-(methylamino)decan-1-ol
CID 143615624
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301541

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine?
The IUPAC name of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine (CID 144811231) is 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine?
The canonical SMILES for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine is CC1CN(CCCc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine?
The InChIKey is DJLFHEWMLANSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-10-16(11-12)6-2-3-13-4-5-14-15(9-13)18-8-7-17-14/h4-5,9,12H,2-3,6-8,10-11H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine?
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine has a molecular weight of 247.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine is sourced from PubChem (CID 144811231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).