7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C14H21NO4 — CID 43260058

IUPAC7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(C)OCCOCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C14H21NO4/c1-10(2)17-4-3-16-9-11-7-13-14(8-12(11)15)19-6-5-18-13/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyRCEDUJJUJOFBRE-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.98
Rot. Bonds6

About 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43260058) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43260058
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(C)OCCOCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C14H21NO4/c1-10(2)17-4-3-16-9-11-7-13-14(8-12(11)15)19-6-5-18-13/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyRCEDUJJUJOFBRE-UHFFFAOYSA-N
XLogP1.98
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260155
7-(2-ethylhexoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260166
propan-2-yl 2-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 82550278
7-[(4-chlorophenyl)methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65124921
4-nitro-2-(2-propan-2-yloxyethoxymethyl)aniline
CID 62193048
7-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260036
7-[[methyl(pentan-3-yl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43570680
N-methyl-1-[6-(2-propan-2-yloxyethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55012013
7-(3-methylbutan-2-ylsulfinylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 107753748
7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43259900
7-(methylsulfinylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 61289262
7-(ethylsulfonylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43444653

Frequently Asked Questions

What is the IUPAC name of 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43260058) is 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is CC(C)OCCOCc1cc2c(cc1N)OCCO2.
What is the InChIKey of 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is RCEDUJJUJOFBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(2)17-4-3-16-9-11-7-13-14(8-12(11)15)19-6-5-18-13/h7-8,10H,3-6,9,15H2,1-2H3.
What are the key properties of 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 267.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43260058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).