5-methoxy-2,3-dihydro-1H-indol-6-amine

C9H12N2O — CID 72710379

IUPAC5-methoxy-2,3-dihydro-1H-indol-6-amine
SMILESCOc1cc2c(cc1N)NCC2
InChIInChI=1S/C9H12N2O/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h4-5,11H,2-3,10H2,1H3
InChIKeyCBFMTJJQBSXEPR-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-indol-6-amine

5-methoxy-2,3-dihydro-1H-indol-6-amine (PubChem CID 72710379) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-indol-6-amine.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-indol-6-amine
PubChem CID72710379
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methoxy-2,3-dihydro-1H-indol-6-amine
SMILESCOc1cc2c(cc1N)NCC2
InChIInChI=1S/C9H12N2O/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h4-5,11H,2-3,10H2,1H3
InChIKeyCBFMTJJQBSXEPR-UHFFFAOYSA-N
XLogP1.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-indol-6-amine?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-indol-6-amine (CID 72710379) is 5-methoxy-2,3-dihydro-1H-indol-6-amine.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-indol-6-amine?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-indol-6-amine is COc1cc2c(cc1N)NCC2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-indol-6-amine?
The InChIKey is CBFMTJJQBSXEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h4-5,11H,2-3,10H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-indol-6-amine?
5-methoxy-2,3-dihydro-1H-indol-6-amine has a molecular weight of 164.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-indol-6-amine is sourced from PubChem (CID 72710379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).