N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine

C12H19FN2O — CID 103270021

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
SMILESCCOCC(Nc1ncccc1F)C(C)C
InChIInChI=1S/C12H19FN2O/c1-4-16-8-11(9(2)3)15-12-10(13)6-5-7-14-12/h5-7,9,11H,4,8H2,1-3H3,(H,14,15)
InChIKeyDSTWBCQYWWYTBL-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.69
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine

N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine (PubChem CID 103270021) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
PubChem CID103270021
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
SMILESCCOCC(Nc1ncccc1F)C(C)C
InChIInChI=1S/C12H19FN2O/c1-4-16-8-11(9(2)3)15-12-10(13)6-5-7-14-12/h5-7,9,11H,4,8H2,1-3H3,(H,14,15)
InChIKeyDSTWBCQYWWYTBL-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzene-1,2-diamine
CID 114114779
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 115923095
N-(1-ethoxypropan-2-yl)-3-methoxypyridin-2-amine
CID 115923070
N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine
CID 136561986
N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 103269882
3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 62732858
3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 115684649
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598927
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
CID 103269905
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine (CID 103270021) is N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine is CCOCC(Nc1ncccc1F)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine?
The InChIKey is DSTWBCQYWWYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-4-16-8-11(9(2)3)15-12-10(13)6-5-7-14-12/h5-7,9,11H,4,8H2,1-3H3,(H,14,15).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine has a molecular weight of 226.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 103270021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).