7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C14H19NO4 — CID 43260036

IUPAC7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESNc1cc2c(cc1COCC1CCCO1)OCCO2
InChIInChI=1S/C14H19NO4/c15-12-7-14-13(18-4-5-19-14)6-10(12)8-16-9-11-2-1-3-17-11/h6-7,11H,1-5,8-9,15H2
InChIKeyHQSIIUBAOZBDHU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds4

About 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43260036) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43260036
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESNc1cc2c(cc1COCC1CCCO1)OCCO2
InChIInChI=1S/C14H19NO4/c15-12-7-14-13(18-4-5-19-14)6-10(12)8-16-9-11-2-1-3-17-11/h6-7,11H,1-5,8-9,15H2
InChIKeyHQSIIUBAOZBDHU-UHFFFAOYSA-N
XLogP1.74
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115518
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
N-[[5-methyl-4-(oxolan-2-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446310
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]boronic acid
CID 65327740
2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]azanium
CID 2093317
4-[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323992

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43260036) is 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is Nc1cc2c(cc1COCC1CCCO1)OCCO2.
What is the InChIKey of 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is HQSIIUBAOZBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c15-12-7-14-13(18-4-5-19-14)6-10(12)8-16-9-11-2-1-3-17-11/h6-7,11H,1-5,8-9,15H2.
What are the key properties of 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 265.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43260036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).