6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine

C13H16N2O — CID 65332552

IUPAC6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCOc1ccc2[nH]c3c(c2c1)C(N)CCC3
InChIInChI=1S/C13H16N2O/c1-16-8-5-6-11-9(7-8)13-10(14)3-2-4-12(13)15-11/h5-7,10,15H,2-4,14H2,1H3
InChIKeyHEYWTQWSTLLUAF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds1

About 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine

6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine (PubChem CID 65332552) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine.

Molecular Properties

Compound Name6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
PubChem CID65332552
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCOc1ccc2[nH]c3c(c2c1)C(N)CCC3
InChIInChI=1S/C13H16N2O/c1-16-8-5-6-11-9(7-8)13-10(14)3-2-4-12(13)15-11/h5-7,10,15H,2-4,14H2,1H3
InChIKeyHEYWTQWSTLLUAF-UHFFFAOYSA-N
XLogP2.51
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The IUPAC name of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine (CID 65332552) is 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine.
What is the SMILES notation for 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The canonical SMILES for 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine is COc1ccc2[nH]c3c(c2c1)C(N)CCC3.
What is the InChIKey of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The InChIKey is HEYWTQWSTLLUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-8-5-6-11-9(7-8)13-10(14)3-2-4-12(13)15-11/h5-7,10,15H,2-4,14H2,1H3.
What are the key properties of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine has a molecular weight of 216.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine is sourced from PubChem (CID 65332552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).