1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine

C19H21NO4 — CID 124755241

IUPAC1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine
SMILESCOc1cccc(OC2CN(C[C@@H]3COc4ccccc4O3)C2)c1
InChIInChI=1S/C19H21NO4/c1-21-14-5-4-6-15(9-14)23-16-10-20(11-16)12-17-13-22-18-7-2-3-8-19(18)24-17/h2-9,16-17H,10-13H2,1H3/t17-/m1/s1
InChIKeyPZIAYWSFMSHPMG-QGZVFWFLSA-N
MW327.38 g/mol
LogP2.60
Rot. Bonds5

About 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine (PubChem CID 124755241) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine.

Molecular Properties

Compound Name1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine
PubChem CID124755241
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine
SMILESCOc1cccc(OC2CN(C[C@@H]3COc4ccccc4O3)C2)c1
InChIInChI=1S/C19H21NO4/c1-21-14-5-4-6-15(9-14)23-16-10-20(11-16)12-17-13-22-18-7-2-3-8-19(18)24-17/h2-9,16-17H,10-13H2,1H3/t17-/m1/s1
InChIKeyPZIAYWSFMSHPMG-QGZVFWFLSA-N
XLogP2.60
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine with MolForge

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Related Compounds

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,6-dimethylphenoxy)azetidine
CID 124843359
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
CID 77092593
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-6-methoxy-3H-isoindol-1-one
CID 138621758
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenoxy)butanamide
CID 100580391
(3S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpiperazine
CID 104977057
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpiperazine
CID 65448473

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine?
The IUPAC name of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine (CID 124755241) is 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine.
What is the SMILES notation for 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine?
The canonical SMILES for 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine is COc1cccc(OC2CN(C[C@@H]3COc4ccccc4O3)C2)c1.
What is the InChIKey of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine?
The InChIKey is PZIAYWSFMSHPMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-21-14-5-4-6-15(9-14)23-16-10-20(11-16)12-17-13-22-18-7-2-3-8-19(18)24-17/h2-9,16-17H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine?
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine has a molecular weight of 327.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine is sourced from PubChem (CID 124755241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).