2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

C11H16F3N3O — CID 114056489

IUPAC2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(N)c1cccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-8(15)9-3-2-4-16-10(9)17(5-6-18)7-11(12,13)14/h2-4,8,18H,5-7,15H2,1H3
InChIKeyFBNVSYTYYPZURW-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.46
Rot. Bonds5

About 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 114056489) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID114056489
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(N)c1cccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-8(15)9-3-2-4-16-10(9)17(5-6-18)7-11(12,13)14/h2-4,8,18H,5-7,15H2,1H3
InChIKeyFBNVSYTYYPZURW-UHFFFAOYSA-N
XLogP1.46
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
CID 114056004
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 107479884
3-(1-aminoethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 114055773
2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107480595
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 114056489) is 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(N)c1cccnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FBNVSYTYYPZURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8(15)9-3-2-4-16-10(9)17(5-6-18)7-11(12,13)14/h2-4,8,18H,5-7,15H2,1H3.
What are the key properties of 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 263.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 114056489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).