1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol

C20H25NO2 — CID 3048808

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol
SMILESCC(NCCOc1ccccc1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H25NO2/c1-15(21-12-13-23-19-8-3-2-4-9-19)20(22)18-11-10-16-6-5-7-17(16)14-18/h2-4,8-11,14-15,20-22H,5-7,12-13H2,1H3
InChIKeyOBCAVLDLQQPSCJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.27
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol (PubChem CID 3048808) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol
PubChem CID3048808
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol
SMILESCC(NCCOc1ccccc1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H25NO2/c1-15(21-12-13-23-19-8-3-2-4-9-19)20(22)18-11-10-16-6-5-7-17(16)14-18/h2-4,8-11,14-15,20-22H,5-7,12-13H2,1H3
InChIKeyOBCAVLDLQQPSCJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol (CID 3048808) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol is CC(NCCOc1ccccc1)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol?
The InChIKey is OBCAVLDLQQPSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(21-12-13-23-19-8-3-2-4-9-19)20(22)18-11-10-16-6-5-7-17(16)14-18/h2-4,8-11,14-15,20-22H,5-7,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenoxyethylamino)propan-1-ol is sourced from PubChem (CID 3048808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).