1-benzylindol-2-amine

C15H14N2 — CID 91418343

IUPAC1-benzylindol-2-amine
SMILESNc1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C15H14N2/c16-15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12/h1-10H,11,16H2
InChIKeyKRKOUYGRFMARHC-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.27
Rot. Bonds2

About 1-benzylindol-2-amine

1-benzylindol-2-amine (PubChem CID 91418343) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-benzylindol-2-amine.

Molecular Properties

Compound Name1-benzylindol-2-amine
PubChem CID91418343
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-benzylindol-2-amine
SMILESNc1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C15H14N2/c16-15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12/h1-10H,11,16H2
InChIKeyKRKOUYGRFMARHC-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

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Frequently Asked Questions

What is the IUPAC name of 1-benzylindol-2-amine?
The IUPAC name of 1-benzylindol-2-amine (CID 91418343) is 1-benzylindol-2-amine.
What is the SMILES notation for 1-benzylindol-2-amine?
The canonical SMILES for 1-benzylindol-2-amine is Nc1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzylindol-2-amine?
The InChIKey is KRKOUYGRFMARHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12/h1-10H,11,16H2.
What are the key properties of 1-benzylindol-2-amine?
1-benzylindol-2-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-2-amine is sourced from PubChem (CID 91418343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).