2-ethyl-3,5-dimethyl-1H-indole

C12H15N — CID 1209049

IUPAC2-ethyl-3,5-dimethyl-1H-indole
SMILESCCc1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C12H15N/c1-4-11-9(3)10-7-8(2)5-6-12(10)13-11/h5-7,13H,4H2,1-3H3
InChIKeyAOVDIBSCXYCQQF-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.35
Rot. Bonds1

About 2-ethyl-3,5-dimethyl-1H-indole

2-ethyl-3,5-dimethyl-1H-indole (PubChem CID 1209049) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-1H-indole.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-1H-indole
PubChem CID1209049
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-ethyl-3,5-dimethyl-1H-indole
SMILESCCc1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C12H15N/c1-4-11-9(3)10-7-8(2)5-6-12(10)13-11/h5-7,13H,4H2,1-3H3
InChIKeyAOVDIBSCXYCQQF-UHFFFAOYSA-N
XLogP3.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-3,5-dimethyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
CID 170857441
ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
CID 91665749
3,6-dimethyl-9H-carbazole
CID 144942624
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
1-[1-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137335134
5-fluoro-3-methyl-2-propyl-1H-indole
CID 72942274
2,7-dimethyl-10H-acridin-9-one
CID 13293445
ethane;prop-1-ene;2,3,5-trimethyl-1H-indole
CID 143420454
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-ethyl-3-methyl-1H-indol-5-yl)methanamine
CID 25278913
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
3,4,6-trimethyl-9H-carbazole
CID 610656
2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one
CID 55221673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-1H-indole?
The IUPAC name of 2-ethyl-3,5-dimethyl-1H-indole (CID 1209049) is 2-ethyl-3,5-dimethyl-1H-indole.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-1H-indole?
The canonical SMILES for 2-ethyl-3,5-dimethyl-1H-indole is CCc1[nH]c2ccc(C)cc2c1C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-1H-indole?
The InChIKey is AOVDIBSCXYCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-11-9(3)10-7-8(2)5-6-12(10)13-11/h5-7,13H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,5-dimethyl-1H-indole?
2-ethyl-3,5-dimethyl-1H-indole has a molecular weight of 173.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-1H-indole is sourced from PubChem (CID 1209049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).