1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine

C11H17FN2O — CID 79197907

IUPAC1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1cncc(F)c1)C(C)(C)OC
InChIInChI=1S/C11H17FN2O/c1-11(2,15-4)10(13-3)8-5-9(12)7-14-6-8/h5-7,10,13H,1-4H3
InChIKeyUQURFTFCMWQJNL-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.91
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine

1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 79197907) 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-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID79197907
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1cncc(F)c1)C(C)(C)OC
InChIInChI=1S/C11H17FN2O/c1-11(2,15-4)10(13-3)8-5-9(12)7-14-6-8/h5-7,10,13H,1-4H3
InChIKeyUQURFTFCMWQJNL-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197545
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
CID 116751826
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79197895

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 79197907) is 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine is CNC(c1cncc(F)c1)C(C)(C)OC.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is UQURFTFCMWQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-11(2,15-4)10(13-3)8-5-9(12)7-14-6-8/h5-7,10,13H,1-4H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 1.91, 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-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79197907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).