2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine

C12H19FN2O — CID 116760662

IUPAC2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-4-12(5-2,16-3)11(14)9-6-10(13)8-15-7-9/h6-8,11H,4-5,14H2,1-3H3
InChIKeyVOUDLSSUDUTVHG-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.43
Rot. Bonds5

About 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine

2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine (PubChem CID 116760662) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
PubChem CID116760662
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-4-12(5-2,16-3)11(14)9-6-10(13)8-15-7-9/h6-8,11H,4-5,14H2,1-3H3
InChIKeyVOUDLSSUDUTVHG-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
CID 116751826
methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
CID 131354218
1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197907
methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
CID 94425120
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 65136425
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
CID 116760473
3-(1-chloropropyl)-5-fluoropyridine
CID 130480294
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105226545
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine?
The IUPAC name of 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine (CID 116760662) is 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine?
The canonical SMILES for 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine is CCC(CC)(OC)C(N)c1cncc(F)c1.
What is the InChIKey of 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine?
The InChIKey is VOUDLSSUDUTVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-4-12(5-2,16-3)11(14)9-6-10(13)8-15-7-9/h6-8,11H,4-5,14H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine?
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine has a molecular weight of 226.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116760662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).