6-amino-1-(benzylamino)indol-5-ol

C15H15N3O — CID 69254883

IUPAC6-amino-1-(benzylamino)indol-5-ol
SMILESNc1cc2c(ccn2NCc2ccccc2)cc1O
InChIInChI=1S/C15H15N3O/c16-13-9-14-12(8-15(13)19)6-7-18(14)17-10-11-4-2-1-3-5-11/h1-9,17,19H,10,16H2
InChIKeyZWEBUWIYXYPYLJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds3

About 6-amino-1-(benzylamino)indol-5-ol

6-amino-1-(benzylamino)indol-5-ol (PubChem CID 69254883) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-amino-1-(benzylamino)indol-5-ol.

Molecular Properties

Compound Name6-amino-1-(benzylamino)indol-5-ol
PubChem CID69254883
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-amino-1-(benzylamino)indol-5-ol
SMILESNc1cc2c(ccn2NCc2ccccc2)cc1O
InChIInChI=1S/C15H15N3O/c16-13-9-14-12(8-15(13)19)6-7-18(14)17-10-11-4-2-1-3-5-11/h1-9,17,19H,10,16H2
InChIKeyZWEBUWIYXYPYLJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(benzylamino)indol-5-ol?
The IUPAC name of 6-amino-1-(benzylamino)indol-5-ol (CID 69254883) is 6-amino-1-(benzylamino)indol-5-ol.
What is the SMILES notation for 6-amino-1-(benzylamino)indol-5-ol?
The canonical SMILES for 6-amino-1-(benzylamino)indol-5-ol is Nc1cc2c(ccn2NCc2ccccc2)cc1O.
What is the InChIKey of 6-amino-1-(benzylamino)indol-5-ol?
The InChIKey is ZWEBUWIYXYPYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-13-9-14-12(8-15(13)19)6-7-18(14)17-10-11-4-2-1-3-5-11/h1-9,17,19H,10,16H2.
What are the key properties of 6-amino-1-(benzylamino)indol-5-ol?
6-amino-1-(benzylamino)indol-5-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(benzylamino)indol-5-ol is sourced from PubChem (CID 69254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).