3-(4-aminophenyl)-1H-indol-6-amine

C14H13N3 — CID 67112268

IUPAC3-(4-aminophenyl)-1H-indol-6-amine
SMILESNc1ccc(-c2c[nH]c3cc(N)ccc23)cc1
InChIInChI=1S/C14H13N3/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H,15-16H2
InChIKeyQGSOLOBJSDLKEA-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.00
Rot. Bonds1

About 3-(4-aminophenyl)-1H-indol-6-amine

3-(4-aminophenyl)-1H-indol-6-amine (PubChem CID 67112268) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1H-indol-6-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-1H-indol-6-amine
PubChem CID67112268
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(4-aminophenyl)-1H-indol-6-amine
SMILESNc1ccc(-c2c[nH]c3cc(N)ccc23)cc1
InChIInChI=1S/C14H13N3/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H,15-16H2
InChIKeyQGSOLOBJSDLKEA-UHFFFAOYSA-N
XLogP3.00
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.00
H-Bond Donors ≤ 53
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 3-(4-aminophenyl)-1H-indol-6-amine?
The IUPAC name of 3-(4-aminophenyl)-1H-indol-6-amine (CID 67112268) is 3-(4-aminophenyl)-1H-indol-6-amine.
What is the SMILES notation for 3-(4-aminophenyl)-1H-indol-6-amine?
The canonical SMILES for 3-(4-aminophenyl)-1H-indol-6-amine is Nc1ccc(-c2c[nH]c3cc(N)ccc23)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1H-indol-6-amine?
The InChIKey is QGSOLOBJSDLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H,15-16H2.
What are the key properties of 3-(4-aminophenyl)-1H-indol-6-amine?
3-(4-aminophenyl)-1H-indol-6-amine has a molecular weight of 223.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1H-indol-6-amine is sourced from PubChem (CID 67112268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).