5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole

C17H19NO — CID 4656228

IUPAC5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(c1ccccc1C)N2
InChIInChI=1S/C17H19NO/c1-3-19-14-8-9-16-13(10-14)11-17(18-16)15-7-5-4-6-12(15)2/h4-10,17-18H,3,11H2,1-2H3
InChIKeyOVYZUQJLMWEYQW-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.10
Rot. Bonds3

About 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole

5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 4656228) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID4656228
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(c1ccccc1C)N2
InChIInChI=1S/C17H19NO/c1-3-19-14-8-9-16-13(10-14)11-17(18-16)15-7-5-4-6-12(15)2/h4-10,17-18H,3,11H2,1-2H3
InChIKeyOVYZUQJLMWEYQW-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
CID 4657849
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole
CID 4592360
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 142624947
2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 164664284
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
CID 55184388
5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5136391
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 66821777

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole (CID 4656228) is 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole is CCOc1ccc2c(c1)CC(c1ccccc1C)N2.
What is the InChIKey of 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is OVYZUQJLMWEYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-19-14-8-9-16-13(10-14)11-17(18-16)15-7-5-4-6-12(15)2/h4-10,17-18H,3,11H2,1-2H3.
What are the key properties of 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole?
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 253.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4656228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).