2H-indol-2-ylmethanamine

C9H10N2 — CID 70469468

IUPAC2H-indol-2-ylmethanamine
SMILESNCC1C=c2ccccc2=N1
InChIInChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,8H,6,10H2
InChIKeyJJNGLXBBEDSSCC-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.57
Rot. Bonds1

About 2H-indol-2-ylmethanamine

2H-indol-2-ylmethanamine (PubChem CID 70469468) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2H-indol-2-ylmethanamine.

Molecular Properties

Compound Name2H-indol-2-ylmethanamine
PubChem CID70469468
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2H-indol-2-ylmethanamine
SMILESNCC1C=c2ccccc2=N1
InChIInChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,8H,6,10H2
InChIKeyJJNGLXBBEDSSCC-UHFFFAOYSA-N
XLogP-0.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-indol-2-ylmethanamine?
The IUPAC name of 2H-indol-2-ylmethanamine (CID 70469468) is 2H-indol-2-ylmethanamine.
What is the SMILES notation for 2H-indol-2-ylmethanamine?
The canonical SMILES for 2H-indol-2-ylmethanamine is NCC1C=c2ccccc2=N1.
What is the InChIKey of 2H-indol-2-ylmethanamine?
The InChIKey is JJNGLXBBEDSSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,8H,6,10H2.
What are the key properties of 2H-indol-2-ylmethanamine?
2H-indol-2-ylmethanamine has a molecular weight of 146.19 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indol-2-ylmethanamine is sourced from PubChem (CID 70469468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).