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

C10H13NO — CID 3016741

IUPAC4-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc2c1CCC2N
InChIInChI=1S/C10H13NO/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4,9H,5-6,11H2,1H3
InChIKeyJMXMRMSUOHVHOF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.64
Rot. Bonds1

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

4-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 3016741) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID3016741
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc2c1CCC2N
InChIInChI=1S/C10H13NO/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4,9H,5-6,11H2,1H3
InChIKeyJMXMRMSUOHVHOF-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-methoxy-2,3-dihydro-1H-inden-1-amine (CID 3016741) is 4-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-methoxy-2,3-dihydro-1H-inden-1-amine is COc1cccc2c1CCC2N.
What is the InChIKey of 4-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JMXMRMSUOHVHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4,9H,5-6,11H2,1H3.
What are the key properties of 4-methoxy-2,3-dihydro-1H-inden-1-amine?
4-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 3016741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).