2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol

C14H16F2N2O — CID 107485059

IUPAC2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccnc2ccccc12)CC(F)F
InChIInChI=1S/C14H16F2N2O/c15-14(16)10-18(7-8-19)9-11-5-6-17-13-4-2-1-3-12(11)13/h1-6,14,19H,7-10H2
InChIKeyXCWHGDUKGHXBRJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.29
Rot. Bonds6

About 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol (PubChem CID 107485059) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
PubChem CID107485059
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccnc2ccccc12)CC(F)F
InChIInChI=1S/C14H16F2N2O/c15-14(16)10-18(7-8-19)9-11-5-6-17-13-4-2-1-3-12(11)13/h1-6,14,19H,7-10H2
InChIKeyXCWHGDUKGHXBRJ-UHFFFAOYSA-N
XLogP2.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
2-[cyclobutyl(quinolin-4-ylmethyl)amino]ethanol
CID 102679767
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
CID 107482532
3-quinolin-4-ylpropan-1-ol
CID 21218471
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol
CID 21424760

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol (CID 107485059) is 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol is OCCN(Cc1ccnc2ccccc12)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol?
The InChIKey is XCWHGDUKGHXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-14(16)10-18(7-8-19)9-11-5-6-17-13-4-2-1-3-12(11)13/h1-6,14,19H,7-10H2.
What are the key properties of 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol has a molecular weight of 266.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 107485059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).