1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine

C11H16FN3O — CID 115315766

IUPAC1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2ncccc2F)CCO1
InChIInChI=1S/C11H16FN3O/c1-8(13)10-7-15(5-6-16-10)11-9(12)3-2-4-14-11/h2-4,8,10H,5-7,13H2,1H3
InChIKeyLWDSRKFYTZPKBM-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.77
Rot. Bonds2

About 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine

1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine (PubChem CID 115315766) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
PubChem CID115315766
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2ncccc2F)CCO1
InChIInChI=1S/C11H16FN3O/c1-8(13)10-7-15(5-6-16-10)11-9(12)3-2-4-14-11/h2-4,8,10H,5-7,13H2,1H3
InChIKeyLWDSRKFYTZPKBM-UHFFFAOYSA-N
XLogP0.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine (CID 115315766) is 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine is CC(N)C1CN(c2ncccc2F)CCO1.
What is the InChIKey of 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine?
The InChIKey is LWDSRKFYTZPKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(13)10-7-15(5-6-16-10)11-9(12)3-2-4-14-11/h2-4,8,10H,5-7,13H2,1H3.
What are the key properties of 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine?
1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine has a molecular weight of 225.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).