3-methoxy-3H-isoindol-1-amine

C9H10N2O — CID 13353217

IUPAC3-methoxy-3H-isoindol-1-amine
SMILESCOC1N=C(N)c2ccccc21
InChIInChI=1S/C9H10N2O/c1-12-9-7-5-3-2-4-6(7)8(10)11-9/h2-5,9H,1H3,(H2,10,11)
InChIKeyORSBAVNBKKOEOS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.05
Rot. Bonds1

About 3-methoxy-3H-isoindol-1-amine

3-methoxy-3H-isoindol-1-amine (PubChem CID 13353217) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methoxy-3H-isoindol-1-amine.

Molecular Properties

Compound Name3-methoxy-3H-isoindol-1-amine
PubChem CID13353217
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methoxy-3H-isoindol-1-amine
SMILESCOC1N=C(N)c2ccccc21
InChIInChI=1S/C9H10N2O/c1-12-9-7-5-3-2-4-6(7)8(10)11-9/h2-5,9H,1H3,(H2,10,11)
InChIKeyORSBAVNBKKOEOS-UHFFFAOYSA-N
XLogP1.05
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3H-isoindol-1-amine?
The IUPAC name of 3-methoxy-3H-isoindol-1-amine (CID 13353217) is 3-methoxy-3H-isoindol-1-amine.
What is the SMILES notation for 3-methoxy-3H-isoindol-1-amine?
The canonical SMILES for 3-methoxy-3H-isoindol-1-amine is COC1N=C(N)c2ccccc21.
What is the InChIKey of 3-methoxy-3H-isoindol-1-amine?
The InChIKey is ORSBAVNBKKOEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-9-7-5-3-2-4-6(7)8(10)11-9/h2-5,9H,1H3,(H2,10,11).
What are the key properties of 3-methoxy-3H-isoindol-1-amine?
3-methoxy-3H-isoindol-1-amine has a molecular weight of 162.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3H-isoindol-1-amine is sourced from PubChem (CID 13353217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).