2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

C10H13NO2 — CID 3747027

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESNCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6,11H2
InChIKeyMJSYUXKKXKFWNX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.96
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 3747027) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID3747027
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESNCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6,11H2
InChIKeyMJSYUXKKXKFWNX-UHFFFAOYSA-N
XLogP0.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-Methylhomoveratrylamine
CID 77039
Veratrylamine
CID 79832
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CID 73874
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N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
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3-O-Methyl-Alpha-Methyldopamine
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 3747027) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is MJSYUXKKXKFWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6,11H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 179.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 3747027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).