1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine

C11H17FN2O — CID 116757462

IUPAC1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)c1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-4-11(2,15-3)10(13)8-5-9(12)7-14-6-8/h5-7,10H,4,13H2,1-3H3
InChIKeyWAQHMPIYSNWMGR-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine

1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine (PubChem CID 116757462) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
PubChem CID116757462
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)c1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-4-11(2,15-3)10(13)8-5-9(12)7-14-6-8/h5-7,10H,4,13H2,1-3H3
InChIKeyWAQHMPIYSNWMGR-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
CID 116751826
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
CID 131354218
1-(1-ethylpyrazol-4-yl)-2-methoxy-2-methylbutan-1-amine
CID 116757269
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
1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197907
[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105226545
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 116758404
methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
CID 94425120

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine (CID 116757462) is 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine is CCC(C)(OC)C(N)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine?
The InChIKey is WAQHMPIYSNWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-4-11(2,15-3)10(13)8-5-9(12)7-14-6-8/h5-7,10H,4,13H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine?
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 116757462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).