N-ethyl-1,3-benzodioxol-2-amine

C9H11NO2 — CID 91350039

IUPACN-ethyl-1,3-benzodioxol-2-amine
SMILESCCNC1Oc2ccccc2O1
InChIInChI=1S/C9H11NO2/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6,9-10H,2H2,1H3
InChIKeyKSHQHSCFVYASTQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.35
Rot. Bonds2

About N-ethyl-1,3-benzodioxol-2-amine

N-ethyl-1,3-benzodioxol-2-amine (PubChem CID 91350039) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-ethyl-1,3-benzodioxol-2-amine.

Molecular Properties

Compound NameN-ethyl-1,3-benzodioxol-2-amine
PubChem CID91350039
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-ethyl-1,3-benzodioxol-2-amine
SMILESCCNC1Oc2ccccc2O1
InChIInChI=1S/C9H11NO2/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6,9-10H,2H2,1H3
InChIKeyKSHQHSCFVYASTQ-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-benzodioxol-2-amine?
The IUPAC name of N-ethyl-1,3-benzodioxol-2-amine (CID 91350039) is N-ethyl-1,3-benzodioxol-2-amine.
What is the SMILES notation for N-ethyl-1,3-benzodioxol-2-amine?
The canonical SMILES for N-ethyl-1,3-benzodioxol-2-amine is CCNC1Oc2ccccc2O1.
What is the InChIKey of N-ethyl-1,3-benzodioxol-2-amine?
The InChIKey is KSHQHSCFVYASTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6,9-10H,2H2,1H3.
What are the key properties of N-ethyl-1,3-benzodioxol-2-amine?
N-ethyl-1,3-benzodioxol-2-amine has a molecular weight of 165.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-benzodioxol-2-amine is sourced from PubChem (CID 91350039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).