2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol

C16H18N2O2 — CID 153357282

IUPAC2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
SMILESNc1c(-c2ccnc(OCCO)c2)ccc2c1CCC2
InChIInChI=1S/C16H18N2O2/c17-16-13-3-1-2-11(13)4-5-14(16)12-6-7-18-15(10-12)20-9-8-19/h4-7,10,19H,1-3,8-9,17H2
InChIKeyYRYXWZCCPFGMPS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.19
Rot. Bonds4

About 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol

2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol (PubChem CID 153357282) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
PubChem CID153357282
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
SMILESNc1c(-c2ccnc(OCCO)c2)ccc2c1CCC2
InChIInChI=1S/C16H18N2O2/c17-16-13-3-1-2-11(13)4-5-14(16)12-6-7-18-15(10-12)20-9-8-19/h4-7,10,19H,1-3,8-9,17H2
InChIKeyYRYXWZCCPFGMPS-UHFFFAOYSA-N
XLogP2.19
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol (CID 153357282) is 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol is Nc1c(-c2ccnc(OCCO)c2)ccc2c1CCC2.
What is the InChIKey of 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol?
The InChIKey is YRYXWZCCPFGMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16-13-3-1-2-11(13)4-5-14(16)12-6-7-18-15(10-12)20-9-8-19/h4-7,10,19H,1-3,8-9,17H2.
What are the key properties of 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol?
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol has a molecular weight of 270.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 153357282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).