1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine

C9H15FN2 — CID 178136836

IUPAC1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine
SMILESCCC1=CC(F)=CN(C(C)N)C1
InChIInChI=1S/C9H15FN2/c1-3-8-4-9(10)6-12(5-8)7(2)11/h4,6-7H,3,5,11H2,1-2H3
InChIKeyODHDMRYHFRENIT-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.75
Rot. Bonds2

About 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine

1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine (PubChem CID 178136836) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine
PubChem CID178136836
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine
SMILESCCC1=CC(F)=CN(C(C)N)C1
InChIInChI=1S/C9H15FN2/c1-3-8-4-9(10)6-12(5-8)7(2)11/h4,6-7H,3,5,11H2,1-2H3
InChIKeyODHDMRYHFRENIT-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine?
The IUPAC name of 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine (CID 178136836) is 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine?
The canonical SMILES for 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine is CCC1=CC(F)=CN(C(C)N)C1.
What is the InChIKey of 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine?
The InChIKey is ODHDMRYHFRENIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-3-8-4-9(10)6-12(5-8)7(2)11/h4,6-7H,3,5,11H2,1-2H3.
What are the key properties of 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine?
1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine has a molecular weight of 170.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine is sourced from PubChem (CID 178136836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).