2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol

C15H19F2N3O — CID 107481421

IUPAC2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol
SMILESCNCc1cc2ccccc2nc1N(CCO)CC(F)F
InChIInChI=1S/C15H19F2N3O/c1-18-9-12-8-11-4-2-3-5-13(11)19-15(12)20(6-7-21)10-14(16)17/h2-5,8,14,18,21H,6-7,9-10H2,1H3
InChIKeyHNMWIVRJTDCWEO-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.02
Rot. Bonds7

About 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol

2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol (PubChem CID 107481421) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol
PubChem CID107481421
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol
SMILESCNCc1cc2ccccc2nc1N(CCO)CC(F)F
InChIInChI=1S/C15H19F2N3O/c1-18-9-12-8-11-4-2-3-5-13(11)19-15(12)20(6-7-21)10-14(16)17/h2-5,8,14,18,21H,6-7,9-10H2,1H3
InChIKeyHNMWIVRJTDCWEO-UHFFFAOYSA-N
XLogP2.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol (CID 107481421) is 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol is CNCc1cc2ccccc2nc1N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol?
The InChIKey is HNMWIVRJTDCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-18-9-12-8-11-4-2-3-5-13(11)19-15(12)20(6-7-21)10-14(16)17/h2-5,8,14,18,21H,6-7,9-10H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol has a molecular weight of 295.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol is sourced from PubChem (CID 107481421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).