1-benzylindol-6-amine

C15H14N2 — CID 22019562

IUPAC1-benzylindol-6-amine
SMILESNc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C15H14N2/c16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h1-10H,11,16H2
InChIKeyUOQORHZEJBHZAP-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.27
Rot. Bonds2

About 1-benzylindol-6-amine

1-benzylindol-6-amine (PubChem CID 22019562) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-benzylindol-6-amine.

Molecular Properties

Compound Name1-benzylindol-6-amine
PubChem CID22019562
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-benzylindol-6-amine
SMILESNc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C15H14N2/c16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h1-10H,11,16H2
InChIKeyUOQORHZEJBHZAP-UHFFFAOYSA-N
XLogP3.27
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.27
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 1-benzylindol-6-amine?
The IUPAC name of 1-benzylindol-6-amine (CID 22019562) is 1-benzylindol-6-amine.
What is the SMILES notation for 1-benzylindol-6-amine?
The canonical SMILES for 1-benzylindol-6-amine is Nc1ccc2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzylindol-6-amine?
The InChIKey is UOQORHZEJBHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h1-10H,11,16H2.
What are the key properties of 1-benzylindol-6-amine?
1-benzylindol-6-amine has a molecular weight of 222.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindol-6-amine is sourced from PubChem (CID 22019562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).