4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine

C11H15FN2O — CID 170495839

IUPAC4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cc(F)cnc1OC
InChIInChI=1S/C11H15FN2O/c1-13-6-4-3-5-9-7-10(12)8-14-11(9)15-2/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyYSXWQJJGIDRPOM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.85
Rot. Bonds5

About 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine

4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine (PubChem CID 170495839) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
PubChem CID170495839
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cc(F)cnc1OC
InChIInChI=1S/C11H15FN2O/c1-13-6-4-3-5-9-7-10(12)8-14-11(9)15-2/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyYSXWQJJGIDRPOM-UHFFFAOYSA-N
XLogP1.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.85
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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Related Compounds

4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ene-1-thiol
CID 170478403
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540
3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 169463640
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
4-(4-fluoro-2-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 170495635
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495538
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495257

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine (CID 170495839) is 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine is CNCCC=Cc1cc(F)cnc1OC.
What is the InChIKey of 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
The InChIKey is YSXWQJJGIDRPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-13-6-4-3-5-9-7-10(12)8-14-11(9)15-2/h3,5,7-8,13H,4,6H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine has a molecular weight of 210.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 170495839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).