5-methoxy-2,3-dihydro-1H-inden-4-amine

C10H13NO — CID 22004792

IUPAC5-methoxy-2,3-dihydro-1H-inden-4-amine
SMILESCOc1ccc2c(c1N)CCC2
InChIInChI=1S/C10H13NO/c1-12-9-6-5-7-3-2-4-8(7)10(9)11/h5-6H,2-4,11H2,1H3
InChIKeyYBIMPTLLAIXAFW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.77
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-inden-4-amine

5-methoxy-2,3-dihydro-1H-inden-4-amine (PubChem CID 22004792) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-inden-4-amine
PubChem CID22004792
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-methoxy-2,3-dihydro-1H-inden-4-amine
SMILESCOc1ccc2c(c1N)CCC2
InChIInChI=1S/C10H13NO/c1-12-9-6-5-7-3-2-4-8(7)10(9)11/h5-6H,2-4,11H2,1H3
InChIKeyYBIMPTLLAIXAFW-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-inden-4-amine (CID 22004792) is 5-methoxy-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-inden-4-amine is COc1ccc2c(c1N)CCC2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-inden-4-amine?
The InChIKey is YBIMPTLLAIXAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-9-6-5-7-3-2-4-8(7)10(9)11/h5-6H,2-4,11H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-inden-4-amine?
5-methoxy-2,3-dihydro-1H-inden-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 22004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).