2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C14H16F3N3O — CID 107478493

IUPAC2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCc1cnc2ccccc2c1N(CCO)CC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)9-20(5-6-21)13-10(7-18)8-19-12-4-2-1-3-11(12)13/h1-4,8,21H,5-7,9,18H2
InChIKeyGGNZZLJIKHEEPC-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds5

About 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478493) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478493
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCc1cnc2ccccc2c1N(CCO)CC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)9-20(5-6-21)13-10(7-18)8-19-12-4-2-1-3-11(12)13/h1-4,8,21H,5-7,9,18H2
InChIKeyGGNZZLJIKHEEPC-UHFFFAOYSA-N
XLogP2.05
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 62286362
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
CID 43669395
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189
2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol
CID 103964839

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478493) is 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is NCc1cnc2ccccc2c1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is GGNZZLJIKHEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)9-20(5-6-21)13-10(7-18)8-19-12-4-2-1-3-11(12)13/h1-4,8,21H,5-7,9,18H2.
What are the key properties of 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 299.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).