2-(4H-1,3-benzodioxin-8-yl)ethanamine

C10H13NO2 — CID 82409644

IUPAC2-(4H-1,3-benzodioxin-8-yl)ethanamine
SMILESNCCc1cccc2c1OCOC2
InChIInChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9-6-12-7-13-10(8)9/h1-3H,4-7,11H2
InChIKeyLOPCAPQRTDVQOE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.05
Rot. Bonds2

About 2-(4H-1,3-benzodioxin-8-yl)ethanamine

2-(4H-1,3-benzodioxin-8-yl)ethanamine (PubChem CID 82409644) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4H-1,3-benzodioxin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(4H-1,3-benzodioxin-8-yl)ethanamine
PubChem CID82409644
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(4H-1,3-benzodioxin-8-yl)ethanamine
SMILESNCCc1cccc2c1OCOC2
InChIInChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9-6-12-7-13-10(8)9/h1-3H,4-7,11H2
InChIKeyLOPCAPQRTDVQOE-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4H-1,3-benzodioxin-8-yl)propanal
CID 117282869
3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
CID 83883224
2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
CID 83874823
2-(3,5-dihydro-2H-1,4-benzoxathiepin-9-yl)ethanamine
CID 83834611
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
CID 117294676
2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83880038
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
CID 83880036
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
CID 83903751
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
CID 143586852
2-(3,5-dihydro-2H-1,4-benzodioxepin-9-yl)acetic acid
CID 83834040
4-(3,4-dihydro-1H-isochromen-5-yl)butan-1-amine
CID 117293860

Frequently Asked Questions

What is the IUPAC name of 2-(4H-1,3-benzodioxin-8-yl)ethanamine?
The IUPAC name of 2-(4H-1,3-benzodioxin-8-yl)ethanamine (CID 82409644) is 2-(4H-1,3-benzodioxin-8-yl)ethanamine.
What is the SMILES notation for 2-(4H-1,3-benzodioxin-8-yl)ethanamine?
The canonical SMILES for 2-(4H-1,3-benzodioxin-8-yl)ethanamine is NCCc1cccc2c1OCOC2.
What is the InChIKey of 2-(4H-1,3-benzodioxin-8-yl)ethanamine?
The InChIKey is LOPCAPQRTDVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9-6-12-7-13-10(8)9/h1-3H,4-7,11H2.
What are the key properties of 2-(4H-1,3-benzodioxin-8-yl)ethanamine?
2-(4H-1,3-benzodioxin-8-yl)ethanamine has a molecular weight of 179.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-1,3-benzodioxin-8-yl)ethanamine is sourced from PubChem (CID 82409644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).