N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine

C11H17FN2 — CID 104739414

IUPACN-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
SMILESCCNCCC(C)c1ccncc1F
InChIInChI=1S/C11H17FN2/c1-3-13-6-4-9(2)10-5-7-14-8-11(10)12/h5,7-9,13H,3-4,6H2,1-2H3
InChIKeyBYGYHKAEDFWUHS-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine

N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine (PubChem CID 104739414) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
PubChem CID104739414
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
SMILESCCNCCC(C)c1ccncc1F
InChIInChI=1S/C11H17FN2/c1-3-13-6-4-9(2)10-5-7-14-8-11(10)12/h5,7-9,13H,3-4,6H2,1-2H3
InChIKeyBYGYHKAEDFWUHS-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102709215
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
3-methyl-4-pentan-2-ylpyridine
CID 143325066
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
[2-ethoxy-1-(3-fluoro-4-pyridinyl)propyl]hydrazine
CID 105222856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine (CID 104739414) is N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine is CCNCCC(C)c1ccncc1F.
What is the InChIKey of N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine?
The InChIKey is BYGYHKAEDFWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-13-6-4-9(2)10-5-7-14-8-11(10)12/h5,7-9,13H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine?
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine has a molecular weight of 196.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine is sourced from PubChem (CID 104739414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).