2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H18F3N3O — CID 107481493

IUPAC2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNCc1ccc(N(CCO)CC(F)(F)F)nc1
InChIInChI=1S/C12H18F3N3O/c1-2-16-7-10-3-4-11(17-8-10)18(5-6-19)9-12(13,14)15/h3-4,8,16,19H,2,5-7,9H2,1H3
InChIKeyNYRXVAPDDPCIMG-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.55
Rot. Bonds7

About 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481493) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481493
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNCc1ccc(N(CCO)CC(F)(F)F)nc1
InChIInChI=1S/C12H18F3N3O/c1-2-16-7-10-3-4-11(17-8-10)18(5-6-19)9-12(13,14)15/h3-4,8,16,19H,2,5-7,9H2,1H3
InChIKeyNYRXVAPDDPCIMG-UHFFFAOYSA-N
XLogP1.55
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol
CID 80629638
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638350
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
3-[cyclobutyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]propan-1-ol
CID 102864700
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62281431

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107481493) is 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCNCc1ccc(N(CCO)CC(F)(F)F)nc1.
What is the InChIKey of 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is NYRXVAPDDPCIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-16-7-10-3-4-11(17-8-10)18(5-6-19)9-12(13,14)15/h3-4,8,16,19H,2,5-7,9H2,1H3.
What are the key properties of 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 277.29 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).