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

C14H22F3N3O — CID 107481548

IUPAC2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)CNCc1ccc(N(CCO)CC(F)(F)F)nc1
InChIInChI=1S/C14H22F3N3O/c1-11(2)7-18-8-12-3-4-13(19-9-12)20(5-6-21)10-14(15,16)17/h3-4,9,11,18,21H,5-8,10H2,1-2H3
InChIKeyVNKPUCSEULVMLM-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.19
Rot. Bonds8

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

2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481548) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481548
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)CNCc1ccc(N(CCO)CC(F)(F)F)nc1
InChIInChI=1S/C14H22F3N3O/c1-11(2)7-18-8-12-3-4-13(19-9-12)20(5-6-21)10-14(15,16)17/h3-4,9,11,18,21H,5-8,10H2,1-2H3
InChIKeyVNKPUCSEULVMLM-UHFFFAOYSA-N
XLogP2.19
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481493
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107481548) is 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)CNCc1ccc(N(CCO)CC(F)(F)F)nc1.
What is the InChIKey of 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VNKPUCSEULVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-11(2)7-18-8-12-3-4-13(19-9-12)20(5-6-21)10-14(15,16)17/h3-4,9,11,18,21H,5-8,10H2,1-2H3.
What are the key properties of 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 305.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).