N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

C21H21F3N2O — CID 146805373

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFC(F)(F)c1cccc(C/N=C2\Nc3ccccc3CC23CCOCC3)c1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)17-6-3-4-15(12-17)14-25-19-20(8-10-27-11-9-20)13-16-5-1-2-7-18(16)26-19/h1-7,12H,8-11,13-14H2,(H,25,26)
InChIKeyRYXOXTPDORPELU-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.07
Rot. Bonds2

About N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 146805373) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID146805373
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFC(F)(F)c1cccc(C/N=C2\Nc3ccccc3CC23CCOCC3)c1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)17-6-3-4-15(12-17)14-25-19-20(8-10-27-11-9-20)13-16-5-1-2-7-18(16)26-19/h1-7,12H,8-11,13-14H2,(H,25,26)
InChIKeyRYXOXTPDORPELU-UHFFFAOYSA-N
XLogP5.07
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 146805373) is N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is FC(F)(F)c1cccc(C/N=C2\Nc3ccccc3CC23CCOCC3)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is RYXOXTPDORPELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)17-6-3-4-15(12-17)14-25-19-20(8-10-27-11-9-20)13-16-5-1-2-7-18(16)26-19/h1-7,12H,8-11,13-14H2,(H,25,26).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 374.41 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 146805373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).