3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine

C15H22N2O — CID 113365200

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCOCC1CCN(C2CC(N)c3ccccc32)C1
InChIInChI=1S/C15H22N2O/c1-18-10-11-6-7-17(9-11)15-8-14(16)12-4-2-3-5-13(12)15/h2-5,11,14-15H,6-10,16H2,1H3
InChIKeyQSZADGDFYOSZOC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.10
Rot. Bonds3

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113365200) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113365200
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCOCC1CCN(C2CC(N)c3ccccc32)C1
InChIInChI=1S/C15H22N2O/c1-18-10-11-6-7-17(9-11)15-8-14(16)12-4-2-3-5-13(12)15/h2-5,11,14-15H,6-10,16H2,1H3
InChIKeyQSZADGDFYOSZOC-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine (CID 113365200) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine is COCC1CCN(C2CC(N)c3ccccc32)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QSZADGDFYOSZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-10-11-6-7-17(9-11)15-8-14(16)12-4-2-3-5-13(12)15/h2-5,11,14-15H,6-10,16H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine?
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113365200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).