(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine

C9H13FN2O — CID 131029062

IUPAC(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(F)c(C)n1
InChIInChI=1S/C9H13FN2O/c1-6-7(10)3-4-9(12-6)8(11)5-13-2/h3-4,8H,5,11H2,1-2H3/t8-/m1/s1
InChIKeyURRJVANBLKHKSB-MRVPVSSYSA-N
MW184.21 g/mol
LogP1.18
Rot. Bonds3

About (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine

(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine (PubChem CID 131029062) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
PubChem CID131029062
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(F)c(C)n1
InChIInChI=1S/C9H13FN2O/c1-6-7(10)3-4-9(12-6)8(11)5-13-2/h3-4,8H,5,11H2,1-2H3/t8-/m1/s1
InChIKeyURRJVANBLKHKSB-MRVPVSSYSA-N
XLogP1.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine (CID 131029062) is (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine is COC[C@@H](N)c1ccc(F)c(C)n1.
What is the InChIKey of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine?
The InChIKey is URRJVANBLKHKSB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-6-7(10)3-4-9(12-6)8(11)5-13-2/h3-4,8H,5,11H2,1-2H3/t8-/m1/s1.
What are the key properties of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine?
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine has a molecular weight of 184.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 131029062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).