1-Benzyl-2-methylindole

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Basic information

CAS: 17901-58-5
Standard SMILES: Cc1cc2ccccc2n1Cc1ccccc1
InChIKey: DPNOTFHCABPNQH-UHFFFAOYSA-N
Molecular formula: C16H15N
Average molar mass: 221.3 g/mol
Monoisotopic mass: 221.12044948

Names & identifiers

Preferred name: 1-Benzyl-2-methylindole
IUPAC: 1-benzyl-2-methylindole

Names & synonyms

1-benzyl-2-methylindole17901-58-5DTXSID40391287RefChem:227961DTXCID903421481-Benzyl-2-methyl-1H-indole1H-Indole, 2-methyl-1-(phenylmethyl)-1-benzyl-2-methyl-indoleN-benzyl-2-methylindoleSCHEMBL4057306SCHEMBL6821030SCHEMBL10399302

Show more names

SCHEMBL30049411DPNOTFHCABPNQH-UHFFFAOYSA-NALBB-035653MFCD04343149AKOS005208581HS-7690CS-0282096EN300-234722

Database identifiers

CAS: 17901-58-5
PubChem CID: 3307151
DTXSID: DTXSID40391287
Nikkaji: J614.463B

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 244

Related reactions

4 records

New reaction record

HRID 5597As productuspto-grants-1993_09

HRID 5598As productuspto-grants-1993_09

HRID 674020As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 827554As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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