2-methyl-2H-indol-4-amine

C9H10N2 — CID 89155171

IUPAC2-methyl-2H-indol-4-amine
SMILESCC1C=c2c(N)cccc2=N1
InChIInChI=1S/C9H10N2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-6H,10H2,1H3
InChIKeyFAJJLTKPSKJBKM-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.07
Rot. Bonds

About 2-methyl-2H-indol-4-amine

2-methyl-2H-indol-4-amine (PubChem CID 89155171) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-2H-indol-4-amine.

Molecular Properties

Compound Name2-methyl-2H-indol-4-amine
PubChem CID89155171
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methyl-2H-indol-4-amine
SMILESCC1C=c2c(N)cccc2=N1
InChIInChI=1S/C9H10N2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-6H,10H2,1H3
InChIKeyFAJJLTKPSKJBKM-UHFFFAOYSA-N
XLogP0.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-indol-4-amine?
The IUPAC name of 2-methyl-2H-indol-4-amine (CID 89155171) is 2-methyl-2H-indol-4-amine.
What is the SMILES notation for 2-methyl-2H-indol-4-amine?
The canonical SMILES for 2-methyl-2H-indol-4-amine is CC1C=c2c(N)cccc2=N1.
What is the InChIKey of 2-methyl-2H-indol-4-amine?
The InChIKey is FAJJLTKPSKJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-6H,10H2,1H3.
What are the key properties of 2-methyl-2H-indol-4-amine?
2-methyl-2H-indol-4-amine has a molecular weight of 146.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-indol-4-amine is sourced from PubChem (CID 89155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).