1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine

C21H23N3O — CID 58394158

IUPAC1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine
SMILESNC1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C21H23N3O/c22-16-8-10-24(13-16)20-11-15-3-1-2-4-18(15)21(20)25-17-6-5-14-7-9-23-19(14)12-17/h1-7,9,12,16,20-21,23H,8,10-11,13,22H2/t16?,20-,21-/m1/s1
InChIKeyMATJXAYIKPOWNS-FPDAJAHMSA-N
MW333.44 g/mol
LogP3.25
Rot. Bonds3

About 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine

1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine (PubChem CID 58394158) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine
PubChem CID58394158
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine
SMILESNC1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C21H23N3O/c22-16-8-10-24(13-16)20-11-15-3-1-2-4-18(15)21(20)25-17-6-5-14-7-9-23-19(14)12-17/h1-7,9,12,16,20-21,23H,8,10-11,13,22H2/t16?,20-,21-/m1/s1
InChIKeyMATJXAYIKPOWNS-FPDAJAHMSA-N
XLogP3.25
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine (CID 58394158) is 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine is NC1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine?
The InChIKey is MATJXAYIKPOWNS-FPDAJAHMSA-N. The full InChI is InChI=1S/C21H23N3O/c22-16-8-10-24(13-16)20-11-15-3-1-2-4-18(15)21(20)25-17-6-5-14-7-9-23-19(14)12-17/h1-7,9,12,16,20-21,23H,8,10-11,13,22H2/t16?,20-,21-/m1/s1.
What are the key properties of 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine?
1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine has a molecular weight of 333.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 58394158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).