1-benzylindole-2,3-diamine

C15H15N3 — CID 142192316

IUPAC1-benzylindole-2,3-diamine
SMILESNc1c(N)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H15N3/c16-14-12-8-4-5-9-13(12)18(15(14)17)10-11-6-2-1-3-7-11/h1-9H,10,16-17H2
InChIKeyVUCXPAXUDFMODM-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.85
Rot. Bonds2

About 1-benzylindole-2,3-diamine

1-benzylindole-2,3-diamine (PubChem CID 142192316) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-benzylindole-2,3-diamine.

Molecular Properties

Compound Name1-benzylindole-2,3-diamine
PubChem CID142192316
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-benzylindole-2,3-diamine
SMILESNc1c(N)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H15N3/c16-14-12-8-4-5-9-13(12)18(15(14)17)10-11-6-2-1-3-7-11/h1-9H,10,16-17H2
InChIKeyVUCXPAXUDFMODM-UHFFFAOYSA-N
XLogP2.85
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzylindole-2,3-diamine?
The IUPAC name of 1-benzylindole-2,3-diamine (CID 142192316) is 1-benzylindole-2,3-diamine.
What is the SMILES notation for 1-benzylindole-2,3-diamine?
The canonical SMILES for 1-benzylindole-2,3-diamine is Nc1c(N)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzylindole-2,3-diamine?
The InChIKey is VUCXPAXUDFMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-14-12-8-4-5-9-13(12)18(15(14)17)10-11-6-2-1-3-7-11/h1-9H,10,16-17H2.
What are the key properties of 1-benzylindole-2,3-diamine?
1-benzylindole-2,3-diamine has a molecular weight of 237.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindole-2,3-diamine is sourced from PubChem (CID 142192316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).