2-benzyl-3-ethyl-1H-indole

C17H17N — CID 13115106

IUPAC2-benzyl-3-ethyl-1H-indole
SMILESCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H17N/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyWTSIDWWGDLJUHR-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.32
Rot. Bonds3

About 2-benzyl-3-ethyl-1H-indole

2-benzyl-3-ethyl-1H-indole (PubChem CID 13115106) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-benzyl-3-ethyl-1H-indole.

Molecular Properties

Compound Name2-benzyl-3-ethyl-1H-indole
PubChem CID13115106
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-benzyl-3-ethyl-1H-indole
SMILESCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H17N/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyWTSIDWWGDLJUHR-UHFFFAOYSA-N
XLogP4.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
2,3-diethyl-1H-indole;hydrate
CID 70606554
3-ethyl-2-propyl-1H-indole
CID 65335384
2-benzyl-1H-indol-3-amine
CID 67876324
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
ethyl 2-amino-3-(2-benzyl-1H-indol-3-yl)propanoate
CID 134906934
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
3-benzyl-2-chloro-1H-indole
CID 12605517
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
CID 57340104
3-ethyl-2-methyl-1H-indole;propane
CID 156727003

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethyl-1H-indole?
The IUPAC name of 2-benzyl-3-ethyl-1H-indole (CID 13115106) is 2-benzyl-3-ethyl-1H-indole.
What is the SMILES notation for 2-benzyl-3-ethyl-1H-indole?
The canonical SMILES for 2-benzyl-3-ethyl-1H-indole is CCc1c(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-benzyl-3-ethyl-1H-indole?
The InChIKey is WTSIDWWGDLJUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3.
What are the key properties of 2-benzyl-3-ethyl-1H-indole?
2-benzyl-3-ethyl-1H-indole has a molecular weight of 235.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethyl-1H-indole is sourced from PubChem (CID 13115106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).