1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine

C10H15FN2O — CID 114856715

IUPAC1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ncccc1F
InChIInChI=1S/C10H15FN2O/c1-14-7-3-5-9(12)10-8(11)4-2-6-13-10/h2,4,6,9H,3,5,7,12H2,1H3
InChIKeyZGSHGLXZMURURB-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.65
Rot. Bonds5

About 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine

1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine (PubChem CID 114856715) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine
PubChem CID114856715
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ncccc1F
InChIInChI=1S/C10H15FN2O/c1-14-7-3-5-9(12)10-8(11)4-2-6-13-10/h2,4,6,9H,3,5,7,12H2,1H3
InChIKeyZGSHGLXZMURURB-UHFFFAOYSA-N
XLogP1.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine (CID 114856715) is 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine is COCCCC(N)c1ncccc1F.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine?
The InChIKey is ZGSHGLXZMURURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-14-7-3-5-9(12)10-8(11)4-2-6-13-10/h2,4,6,9H,3,5,7,12H2,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine?
1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine has a molecular weight of 198.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 114856715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).