(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine

C11H11NO3 — CID 81047700

IUPAC(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine
SMILESCc1c(CN)oc2cc3c(cc12)OCO3
InChIInChI=1S/C11H11NO3/c1-6-7-2-9-10(14-5-13-9)3-8(7)15-11(6)4-12/h2-3H,4-5,12H2,1H3
InChIKeyYZWIXAMBPDQDOO-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.93
Rot. Bonds1

About (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine

(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine (PubChem CID 81047700) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine.

Molecular Properties

Compound Name(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine
PubChem CID81047700
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine
SMILESCc1c(CN)oc2cc3c(cc12)OCO3
InChIInChI=1S/C11H11NO3/c1-6-7-2-9-10(14-5-13-9)3-8(7)15-11(6)4-12/h2-3H,4-5,12H2,1H3
InChIKeyYZWIXAMBPDQDOO-UHFFFAOYSA-N
XLogP1.93
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-7-(4-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]chromen-6-one
CID 45104752
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554
2-methyl-2-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115131703
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
6,7-diphenylfuro[2,3-f][1,3]benzodioxole
CID 102296676
1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-one
CID 5319626
6-(4-aminophenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
CID 82046503
1-(5,6-dimethyl-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-one
CID 82497831
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603496
[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine
CID 82497562
[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 116868184
4,5,10,11-tetramethyl-19,21-dioxahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1,3,5,7,9,11,13,15,17,22,24-undecaene
CID 11773352

Frequently Asked Questions

What is the IUPAC name of (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine?
The IUPAC name of (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine (CID 81047700) is (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine.
What is the SMILES notation for (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine?
The canonical SMILES for (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine is Cc1c(CN)oc2cc3c(cc12)OCO3.
What is the InChIKey of (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine?
The InChIKey is YZWIXAMBPDQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-7-2-9-10(14-5-13-9)3-8(7)15-11(6)4-12/h2-3H,4-5,12H2,1H3.
What are the key properties of (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine?
(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine has a molecular weight of 205.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine is sourced from PubChem (CID 81047700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).