5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole

C15H23NO2 — CID 138059706

IUPAC5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole
SMILESCOc1cc2c(cc1OCCCC(C)C)NCC2
InChIInChI=1S/C15H23NO2/c1-11(2)5-4-8-18-15-10-13-12(6-7-16-13)9-14(15)17-3/h9-11,16H,4-8H2,1-3H3
InChIKeyWACHCBMRBYTOMW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.48
Rot. Bonds6

About 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole

5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole (PubChem CID 138059706) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole
PubChem CID138059706
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole
SMILESCOc1cc2c(cc1OCCCC(C)C)NCC2
InChIInChI=1S/C15H23NO2/c1-11(2)5-4-8-18-15-10-13-12(6-7-16-13)9-14(15)17-3/h9-11,16H,4-8H2,1-3H3
InChIKeyWACHCBMRBYTOMW-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2,3-dihydro-1H-indole
CID 10701974
5,6-Dimethoxyindolin-2-one
CID 222993
5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole
CID 11724369
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44359556
N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide
CID 71758655
6-methoxy-2,3-dihydro-1H-indole
CID 6427549
4-methoxy-2,3-dihydro-1H-indole
CID 16244441
2-(3,4-dimethoxyphenyl)-8-ethoxy-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
CID 994244
N-benzhydryl-4,5-dimethoxy-2-methylaniline
CID 2490040
2-Propanol, 1-(4-indolinyloxy)-3-(isopropylamino)-
CID 3061528
5,6-Dimethoxyindoline
CID 11062978

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole (CID 138059706) is 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole is COc1cc2c(cc1OCCCC(C)C)NCC2.
What is the InChIKey of 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole?
The InChIKey is WACHCBMRBYTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)5-4-8-18-15-10-13-12(6-7-16-13)9-14(15)17-3/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole?
5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole has a molecular weight of 249.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methylpentoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 138059706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).