5-methoxy-2-methyl-2,3-dihydro-1H-indole

C10H13NO — CID 10797090

IUPAC5-methoxy-2-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)CC(C)N2
InChIInChI=1S/C10H13NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-4,6-7,11H,5H2,1-2H3
InChIKeyMKZAAOOSZBRZEP-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.05
Rot. Bonds1

About 5-methoxy-2-methyl-2,3-dihydro-1H-indole

5-methoxy-2-methyl-2,3-dihydro-1H-indole (PubChem CID 10797090) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methoxy-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-methyl-2,3-dihydro-1H-indole
PubChem CID10797090
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-methoxy-2-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)CC(C)N2
InChIInChI=1S/C10H13NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-4,6-7,11H,5H2,1-2H3
InChIKeyMKZAAOOSZBRZEP-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.05
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

4-methoxy-2-methyl-N-phenylaniline
CID 162461
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
2,3-dihydro-1H-indol-5-ol
CID 10034684
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
5-methoxy-2,3-dihydro-1H-indole
CID 10701974
1-(4-Methoxy-2-methylphenyl)piperazine
CID 10750797
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
6-methoxy-2,3-dihydro-1H-indole
CID 6427549
5-Methoxyoxindole
CID 1514286

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-2-methyl-2,3-dihydro-1H-indole (CID 10797090) is 5-methoxy-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-2-methyl-2,3-dihydro-1H-indole is COc1ccc2c(c1)CC(C)N2.
What is the InChIKey of 5-methoxy-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is MKZAAOOSZBRZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-2,3-dihydro-1H-indole?
5-methoxy-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 163.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 10797090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).