2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine

C16H21F3N2O2 — CID 19827753

IUPAC2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine
SMILESCN1CCCc2c(C(F)(F)F)ccc(OCC3CNCCO3)c21
InChIInChI=1S/C16H21F3N2O2/c1-21-7-2-3-12-13(16(17,18)19)4-5-14(15(12)21)23-10-11-9-20-6-8-22-11/h4-5,11,20H,2-3,6-10H2,1H3
InChIKeyXUJHPDUZGACAGM-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.45
Rot. Bonds3

About 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine

2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine (PubChem CID 19827753) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine
PubChem CID19827753
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine
SMILESCN1CCCc2c(C(F)(F)F)ccc(OCC3CNCCO3)c21
InChIInChI=1S/C16H21F3N2O2/c1-21-7-2-3-12-13(16(17,18)19)4-5-14(15(12)21)23-10-11-9-20-6-8-22-11/h4-5,11,20H,2-3,6-10H2,1H3
InChIKeyXUJHPDUZGACAGM-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine?
The IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine (CID 19827753) is 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine.
What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine?
The canonical SMILES for 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine is CN1CCCc2c(C(F)(F)F)ccc(OCC3CNCCO3)c21.
What is the InChIKey of 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine?
The InChIKey is XUJHPDUZGACAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21-7-2-3-12-13(16(17,18)19)4-5-14(15(12)21)23-10-11-9-20-6-8-22-11/h4-5,11,20H,2-3,6-10H2,1H3.
What are the key properties of 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine?
2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine has a molecular weight of 330.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]morpholine is sourced from PubChem (CID 19827753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).