[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine

C22H25N3O — CID 58393685

IUPAC[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2cccc3[nH]ccc23)C1
InChIInChI=1S/C22H25N3O/c23-13-15-9-11-25(14-15)20-12-16-4-1-2-5-17(16)22(20)26-21-7-3-6-19-18(21)8-10-24-19/h1-8,10,15,20,22,24H,9,11-14,23H2/t15?,20-,22-/m1/s1
InChIKeyKNXHHHVXNDOCOZ-GNCLGYCDSA-N
MW347.46 g/mol
LogP3.49
Rot. Bonds4

About [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine

[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine (PubChem CID 58393685) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine
PubChem CID58393685
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2cccc3[nH]ccc23)C1
InChIInChI=1S/C22H25N3O/c23-13-15-9-11-25(14-15)20-12-16-4-1-2-5-17(16)22(20)26-21-7-3-6-19-18(21)8-10-24-19/h1-8,10,15,20,22,24H,9,11-14,23H2/t15?,20-,22-/m1/s1
InChIKeyKNXHHHVXNDOCOZ-GNCLGYCDSA-N
XLogP3.49
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.49
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-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine (CID 58393685) is [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine is NCC1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2cccc3[nH]ccc23)C1.
What is the InChIKey of [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is KNXHHHVXNDOCOZ-GNCLGYCDSA-N. The full InChI is InChI=1S/C22H25N3O/c23-13-15-9-11-25(14-15)20-12-16-4-1-2-5-17(16)22(20)26-21-7-3-6-19-18(21)8-10-24-19/h1-8,10,15,20,22,24H,9,11-14,23H2/t15?,20-,22-/m1/s1.
What are the key properties of [1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine?
[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 347.46 g/mol, XLogP of 3.49, 4 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-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 58393685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).