1-benzylindol-6-amine

C30H28N4 — CID 69325204

IUPAC1-benzylindol-6-amine
SMILESNc1ccc2ccn(Cc3ccccc3)c2c1.Nc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/2C15H14N2/c2*16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h2*1-10H,11,16H2
InChIKeyXDCPQDFLBNIRGV-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.54
Rot. Bonds4

About 1-benzylindol-6-amine

1-benzylindol-6-amine (PubChem CID 69325204) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-benzylindol-6-amine.

Molecular Properties

Compound Name1-benzylindol-6-amine
PubChem CID69325204
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC Name1-benzylindol-6-amine
SMILESNc1ccc2ccn(Cc3ccccc3)c2c1.Nc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/2C15H14N2/c2*16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h2*1-10H,11,16H2
InChIKeyXDCPQDFLBNIRGV-UHFFFAOYSA-N
XLogP6.54
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 69325204) 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.Nc1ccc2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzylindol-6-amine?
The InChIKey is XDCPQDFLBNIRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2/c2*16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h2*1-10H,11,16H2.
What are the key properties of 1-benzylindol-6-amine?
1-benzylindol-6-amine has a molecular weight of 444.58 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindol-6-amine is sourced from PubChem (CID 69325204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).