3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline

C19H22N2O — CID 58393873

IUPAC3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline
SMILESNc1cccc(O[C@@H]2c3ccccc3C[C@H]2N2CCCC2)c1
InChIInChI=1S/C19H22N2O/c20-15-7-5-8-16(13-15)22-19-17-9-2-1-6-14(17)12-18(19)21-10-3-4-11-21/h1-2,5-9,13,18-19H,3-4,10-12,20H2/t18-,19-/m1/s1
InChIKeyJTRGRSDTTZKURZ-RTBURBONSA-N
MW294.40 g/mol
LogP3.41
Rot. Bonds3

About 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline

3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline (PubChem CID 58393873) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline.

Molecular Properties

Compound Name3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline
PubChem CID58393873
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline
SMILESNc1cccc(O[C@@H]2c3ccccc3C[C@H]2N2CCCC2)c1
InChIInChI=1S/C19H22N2O/c20-15-7-5-8-16(13-15)22-19-17-9-2-1-6-14(17)12-18(19)21-10-3-4-11-21/h1-2,5-9,13,18-19H,3-4,10-12,20H2/t18-,19-/m1/s1
InChIKeyJTRGRSDTTZKURZ-RTBURBONSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.41
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 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline?
The IUPAC name of 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline (CID 58393873) is 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline.
What is the SMILES notation for 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline?
The canonical SMILES for 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline is Nc1cccc(O[C@@H]2c3ccccc3C[C@H]2N2CCCC2)c1.
What is the InChIKey of 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline?
The InChIKey is JTRGRSDTTZKURZ-RTBURBONSA-N. The full InChI is InChI=1S/C19H22N2O/c20-15-7-5-8-16(13-15)22-19-17-9-2-1-6-14(17)12-18(19)21-10-3-4-11-21/h1-2,5-9,13,18-19H,3-4,10-12,20H2/t18-,19-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline?
3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline has a molecular weight of 294.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline is sourced from PubChem (CID 58393873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).