(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine

C11H15FN2O — CID 164640856

IUPAC(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine
SMILESFc1ccc(CN[C@H]2CCCOC2)nc1
InChIInChI=1S/C11H15FN2O/c12-9-3-4-10(13-6-9)7-14-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2/t11-/m0/s1
InChIKeyUGISXQUSZPKFTI-NSHDSACASA-N
MW210.25 g/mol
LogP1.49
Rot. Bonds3

About (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine

(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine (PubChem CID 164640856) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine
PubChem CID164640856
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine
SMILESFc1ccc(CN[C@H]2CCCOC2)nc1
InChIInChI=1S/C11H15FN2O/c12-9-3-4-10(13-6-9)7-14-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2/t11-/m0/s1
InChIKeyUGISXQUSZPKFTI-NSHDSACASA-N
XLogP1.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine?
The IUPAC name of (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine (CID 164640856) is (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine.
What is the SMILES notation for (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine?
The canonical SMILES for (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine is Fc1ccc(CN[C@H]2CCCOC2)nc1.
What is the InChIKey of (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine?
The InChIKey is UGISXQUSZPKFTI-NSHDSACASA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-3-4-10(13-6-9)7-14-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2/t11-/m0/s1.
What are the key properties of (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine?
(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine has a molecular weight of 210.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine is sourced from PubChem (CID 164640856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).