8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine

C11H13NO3 — CID 134208029

IUPAC8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine
SMILESNCC1OCCc2c1ccc1c2OCO1
InChIInChI=1S/C11H13NO3/c12-5-10-7-1-2-9-11(15-6-14-9)8(7)3-4-13-10/h1-2,10H,3-6,12H2
InChIKeyGEYAXXAJRSSZJY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.99
Rot. Bonds1

About 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine

8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine (PubChem CID 134208029) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine.

Molecular Properties

Compound Name8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine
PubChem CID134208029
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine
SMILESNCC1OCCc2c1ccc1c2OCO1
InChIInChI=1S/C11H13NO3/c12-5-10-7-1-2-9-11(15-6-14-9)8(7)3-4-13-10/h1-2,10H,3-6,12H2
InChIKeyGEYAXXAJRSSZJY-UHFFFAOYSA-N
XLogP0.99
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460421
N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride
CID 70473319
6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
CID 24837686
6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine
CID 163412207
[(1S)-5-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460683
4-[(1S)-1-(aminomethyl)-3,4-dihydro-1H-isochromen-5-yl]benzonitrile;hydrochloride
CID 171496577
6-ethyl-4,5,5a,7,8,8a-hexahydro-[1,3]benzodioxolo[6,7-e]indole
CID 77155611
methyl 7-amino-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole-6-carboxylate
CID 77419962
6-(1,3-dioxolan-2-yl)-7-methyl-4,5,5a,6,8,8a-hexahydro-[1,3]benzodioxolo[6,7-e]isoindole
CID 67854137
[5-(1H-imidazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460361
(5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460198

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine?
The IUPAC name of 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine (CID 134208029) is 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine.
What is the SMILES notation for 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine?
The canonical SMILES for 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine is NCC1OCCc2c1ccc1c2OCO1.
What is the InChIKey of 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine?
The InChIKey is GEYAXXAJRSSZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-5-10-7-1-2-9-11(15-6-14-9)8(7)3-4-13-10/h1-2,10H,3-6,12H2.
What are the key properties of 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine?
8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine has a molecular weight of 207.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine is sourced from PubChem (CID 134208029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).