1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine

C14H20N2O — CID 103541608

IUPAC1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCOC1CCN(C2CCc3cc(N)ccc32)C1
InChIInChI=1S/C14H20N2O/c1-17-12-6-7-16(9-12)14-5-2-10-8-11(15)3-4-13(10)14/h3-4,8,12,14H,2,5-7,9,15H2,1H3
InChIKeyFXNRGCQJUPABIC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine

1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 103541608) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID103541608
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCOC1CCN(C2CCc3cc(N)ccc32)C1
InChIInChI=1S/C14H20N2O/c1-17-12-6-7-16(9-12)14-5-2-10-8-11(15)3-4-13(10)14/h3-4,8,12,14H,2,5-7,9,15H2,1H3
InChIKeyFXNRGCQJUPABIC-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 103541608) is 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine is COC1CCN(C2CCc3cc(N)ccc32)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is FXNRGCQJUPABIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-12-6-7-16(9-12)14-5-2-10-8-11(15)3-4-13(10)14/h3-4,8,12,14H,2,5-7,9,15H2,1H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 232.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 103541608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).