1H-indol-2-ylmethanamine

C9H10N2 — CID 582331

IUPAC1H-indol-2-ylmethanamine
SMILESNCc1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6,10H2
InChIKeyRNAODKZCUVVPEN-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.63
Rot. Bonds1

About 1H-indol-2-ylmethanamine

1H-indol-2-ylmethanamine (PubChem CID 582331) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1H-indol-2-ylmethanamine.

Molecular Properties

Compound Name1H-indol-2-ylmethanamine
PubChem CID582331
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1H-indol-2-ylmethanamine
SMILESNCc1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6,10H2
InChIKeyRNAODKZCUVVPEN-UHFFFAOYSA-N
XLogP1.63
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylmethanamine?
The IUPAC name of 1H-indol-2-ylmethanamine (CID 582331) is 1H-indol-2-ylmethanamine.
What is the SMILES notation for 1H-indol-2-ylmethanamine?
The canonical SMILES for 1H-indol-2-ylmethanamine is NCc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylmethanamine?
The InChIKey is RNAODKZCUVVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6,10H2.
What are the key properties of 1H-indol-2-ylmethanamine?
1H-indol-2-ylmethanamine has a molecular weight of 146.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylmethanamine is sourced from PubChem (CID 582331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).