(6-methoxy-1,4-benzodioxin-3-yl)methanamine

C10H11NO3 — CID 15372701

IUPAC(6-methoxy-1,4-benzodioxin-3-yl)methanamine
SMILESCOc1ccc2c(c1)OC(CN)=CO2
InChIInChI=1S/C10H11NO3/c1-12-7-2-3-9-10(4-7)14-8(5-11)6-13-9/h2-4,6H,5,11H2,1H3
InChIKeyJUIZALBQHNSZTM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.27
Rot. Bonds2

About (6-methoxy-1,4-benzodioxin-3-yl)methanamine

(6-methoxy-1,4-benzodioxin-3-yl)methanamine (PubChem CID 15372701) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (6-methoxy-1,4-benzodioxin-3-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-1,4-benzodioxin-3-yl)methanamine
PubChem CID15372701
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(6-methoxy-1,4-benzodioxin-3-yl)methanamine
SMILESCOc1ccc2c(c1)OC(CN)=CO2
InChIInChI=1S/C10H11NO3/c1-12-7-2-3-9-10(4-7)14-8(5-11)6-13-9/h2-4,6H,5,11H2,1H3
InChIKeyJUIZALBQHNSZTM-UHFFFAOYSA-N
XLogP1.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,4-benzodioxin-3-yl)methanamine?
The IUPAC name of (6-methoxy-1,4-benzodioxin-3-yl)methanamine (CID 15372701) is (6-methoxy-1,4-benzodioxin-3-yl)methanamine.
What is the SMILES notation for (6-methoxy-1,4-benzodioxin-3-yl)methanamine?
The canonical SMILES for (6-methoxy-1,4-benzodioxin-3-yl)methanamine is COc1ccc2c(c1)OC(CN)=CO2.
What is the InChIKey of (6-methoxy-1,4-benzodioxin-3-yl)methanamine?
The InChIKey is JUIZALBQHNSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-12-7-2-3-9-10(4-7)14-8(5-11)6-13-9/h2-4,6H,5,11H2,1H3.
What are the key properties of (6-methoxy-1,4-benzodioxin-3-yl)methanamine?
(6-methoxy-1,4-benzodioxin-3-yl)methanamine has a molecular weight of 193.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,4-benzodioxin-3-yl)methanamine is sourced from PubChem (CID 15372701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).