2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine

C11H17FN2O — CID 112566125

IUPAC2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
SMILESCCOc1cncc(C(F)(CC)CN)c1
InChIInChI=1S/C11H17FN2O/c1-3-11(12,8-13)9-5-10(15-4-2)7-14-6-9/h5-7H,3-4,8,13H2,1-2H3
InChIKeyZRVDMMBNUSJLBC-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.01
Rot. Bonds5

About 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine

2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine (PubChem CID 112566125) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
PubChem CID112566125
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
SMILESCCOc1cncc(C(F)(CC)CN)c1
InChIInChI=1S/C11H17FN2O/c1-3-11(12,8-13)9-5-10(15-4-2)7-14-6-9/h5-7H,3-4,8,13H2,1-2H3
InChIKeyZRVDMMBNUSJLBC-UHFFFAOYSA-N
XLogP2.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 112565916
4-(5-ethoxy-3-pyridinyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392693
2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
CID 112566360
2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine
CID 112566160
2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
CID 112566577
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
CID 167245615
4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563483
6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769781
(2S)-2-fluoro-2-(4-methylphenyl)butan-1-amine
CID 129375642
[3-(5-ethoxy-3-pyridinyl)furan-2-yl]methanamine
CID 106887873

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine (CID 112566125) is 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine is CCOc1cncc(C(F)(CC)CN)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine?
The InChIKey is ZRVDMMBNUSJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-11(12,8-13)9-5-10(15-4-2)7-14-6-9/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine?
2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine is sourced from PubChem (CID 112566125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).