3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine

C12H18F3N3O — CID 103474599

IUPAC3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
SMILESCCNC(COCC(F)(F)F)c1c(C)ccnc1N
InChIInChI=1S/C12H18F3N3O/c1-3-17-9(6-19-7-12(13,14)15)10-8(2)4-5-18-11(10)16/h4-5,9,17H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyWZKBBPZXIGHDOM-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.20
Rot. Bonds6

About 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine

3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine (PubChem CID 103474599) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
PubChem CID103474599
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
SMILESCCNC(COCC(F)(F)F)c1c(C)ccnc1N
InChIInChI=1S/C12H18F3N3O/c1-3-17-9(6-19-7-12(13,14)15)10-8(2)4-5-18-11(10)16/h4-5,9,17H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyWZKBBPZXIGHDOM-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087148
3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine
CID 79954083
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
CID 107503949
N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214563
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207295
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207670
3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
CID 105265616
N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114213297
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine (CID 103474599) is 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine is CCNC(COCC(F)(F)F)c1c(C)ccnc1N.
What is the InChIKey of 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The InChIKey is WZKBBPZXIGHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-17-9(6-19-7-12(13,14)15)10-8(2)4-5-18-11(10)16/h4-5,9,17H,3,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine?
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 103474599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).