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

C12H17NO2 — CID 83883224

IUPAC3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cccc2c1OCOC2
InChIInChI=1S/C12H17NO2/c1-9(6-13)5-10-3-2-4-11-7-14-8-15-12(10)11/h2-4,9H,5-8,13H2,1H3
InChIKeyDGMOLPMBBIMFBJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.69
Rot. Bonds3

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

3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine (PubChem CID 83883224) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
PubChem CID83883224
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cccc2c1OCOC2
InChIInChI=1S/C12H17NO2/c1-9(6-13)5-10-3-2-4-11-7-14-8-15-12(10)11/h2-4,9H,5-8,13H2,1H3
InChIKeyDGMOLPMBBIMFBJ-UHFFFAOYSA-N
XLogP1.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
CID 83874823
3-(4H-1,3-benzodioxin-8-yl)propanal
CID 117282869
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
CID 117294676
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
CID 114747076
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
CID 143586852
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022
4-(2-methylpropyl)-1,3-dihydro-2-benzofuran
CID 122663965
4-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole
CID 126542882

Frequently Asked Questions

What is the IUPAC name of 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine (CID 83883224) is 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine is CC(CN)Cc1cccc2c1OCOC2.
What is the InChIKey of 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine?
The InChIKey is DGMOLPMBBIMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(6-13)5-10-3-2-4-11-7-14-8-15-12(10)11/h2-4,9H,5-8,13H2,1H3.
What are the key properties of 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine?
3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83883224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).