N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine

C17H17F3N2O — CID 126785604

IUPACN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)COc1ccc(CNC2CCc3ccccc32)cn1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)11-23-16-8-5-12(10-22-16)9-21-15-7-6-13-3-1-2-4-14(13)15/h1-5,8,10,15,21H,6-7,9,11H2
InChIKeyBMYCSCSLLVOXSG-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.80
Rot. Bonds5

About N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine

N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 126785604) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID126785604
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)COc1ccc(CNC2CCc3ccccc32)cn1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)11-23-16-8-5-12(10-22-16)9-21-15-7-6-13-3-1-2-4-14(13)15/h1-5,8,10,15,21H,6-7,9,11H2
InChIKeyBMYCSCSLLVOXSG-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 126785604) is N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine is FC(F)(F)COc1ccc(CNC2CCc3ccccc32)cn1.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BMYCSCSLLVOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)11-23-16-8-5-12(10-22-16)9-21-15-7-6-13-3-1-2-4-14(13)15/h1-5,8,10,15,21H,6-7,9,11H2.
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 322.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126785604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).