1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride

C11H16ClF3N2O — CID 170889418

IUPAC1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cccnc1OCC(F)(F)F.Cl
InChIInChI=1S/C11H15F3N2O.ClH/c1-2-9(15)6-8-4-3-5-16-10(8)17-7-11(12,13)14;/h3-5,9H,2,6-7,15H2,1H3;1H
InChIKeyRRIGFAWELWLZKK-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.72
Rot. Bonds5

About 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride

1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride (PubChem CID 170889418) has the molecular formula C11H16ClF3N2O and a molecular weight of 284.71 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride
PubChem CID170889418
Molecular FormulaC11H16ClF3N2O
Molecular Weight284.71 g/mol
Exact Mass284.09
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cccnc1OCC(F)(F)F.Cl
InChIInChI=1S/C11H15F3N2O.ClH/c1-2-9(15)6-8-4-3-5-16-10(8)17-7-11(12,13)14;/h3-5,9H,2,6-7,15H2,1H3;1H
InChIKeyRRIGFAWELWLZKK-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
1-propan-2-yl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111050372
1,1-diethyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111050367
1-propyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111050358
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
CID 164741273
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-(2-ethylbutyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111890450
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 120797967
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
3-ethyl-2-(trifluoromethoxy)pyridine
CID 166104126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride (CID 170889418) is 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride is CCC(N)Cc1cccnc1OCC(F)(F)F.Cl.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride?
The InChIKey is RRIGFAWELWLZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O.ClH/c1-2-9(15)6-8-4-3-5-16-10(8)17-7-11(12,13)14;/h3-5,9H,2,6-7,15H2,1H3;1H.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride?
1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride has a molecular weight of 284.71 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).