3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine

C12H17F4N3O — CID 103475792

IUPAC3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
SMILESCCNC(COCC(F)(F)C(F)F)c1cnccc1N
InChIInChI=1S/C12H17F4N3O/c1-2-19-10(8-5-18-4-3-9(8)17)6-20-7-12(15,16)11(13)14/h3-5,10-11,19H,2,6-7H2,1H3,(H2,17,18)
InChIKeyROGGWRCINITLKT-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.23
Rot. Bonds8

About 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine

3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine (PubChem CID 103475792) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
PubChem CID103475792
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
SMILESCCNC(COCC(F)(F)C(F)F)c1cnccc1N
InChIInChI=1S/C12H17F4N3O/c1-2-19-10(8-5-18-4-3-9(8)17)6-20-7-12(15,16)11(13)14/h3-5,10-11,19H,2,6-7H2,1H3,(H2,17,18)
InChIKeyROGGWRCINITLKT-UHFFFAOYSA-N
XLogP2.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475704
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 107360376
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475795
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
CID 106815087
3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 116726937
3-(3,3,3-trifluoro-1-hydrazinylpropyl)pyridin-4-amine
CID 105205967
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475733
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine?
The IUPAC name of 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine (CID 103475792) is 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine is CCNC(COCC(F)(F)C(F)F)c1cnccc1N.
What is the InChIKey of 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine?
The InChIKey is ROGGWRCINITLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-2-19-10(8-5-18-4-3-9(8)17)6-20-7-12(15,16)11(13)14/h3-5,10-11,19H,2,6-7H2,1H3,(H2,17,18).
What are the key properties of 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine?
3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine has a molecular weight of 295.28 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine is sourced from PubChem (CID 103475792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).