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

C10H13NO — CID 105432211

IUPAC2-methoxy-2,3-dihydro-1H-inden-4-amine
SMILESCOC1Cc2cccc(N)c2C1
InChIInChI=1S/C10H13NO/c1-12-8-5-7-3-2-4-10(11)9(7)6-8/h2-4,8H,5-6,11H2,1H3
InChIKeyCMHJQVLWDCLFJR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.38
Rot. Bonds1

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

2-methoxy-2,3-dihydro-1H-inden-4-amine (PubChem CID 105432211) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methoxy-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name2-methoxy-2,3-dihydro-1H-inden-4-amine
PubChem CID105432211
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methoxy-2,3-dihydro-1H-inden-4-amine
SMILESCOC1Cc2cccc(N)c2C1
InChIInChI=1S/C10H13NO/c1-12-8-5-7-3-2-4-10(11)9(7)6-8/h2-4,8H,5-6,11H2,1H3
InChIKeyCMHJQVLWDCLFJR-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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 2-methoxy-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 2-methoxy-2,3-dihydro-1H-inden-4-amine (CID 105432211) is 2-methoxy-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 2-methoxy-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 2-methoxy-2,3-dihydro-1H-inden-4-amine is COC1Cc2cccc(N)c2C1.
What is the InChIKey of 2-methoxy-2,3-dihydro-1H-inden-4-amine?
The InChIKey is CMHJQVLWDCLFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-8-5-7-3-2-4-10(11)9(7)6-8/h2-4,8H,5-6,11H2,1H3.
What are the key properties of 2-methoxy-2,3-dihydro-1H-inden-4-amine?
2-methoxy-2,3-dihydro-1H-inden-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 105432211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).