3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine

C16H28FN3O — CID 176961899

IUPAC3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine
SMILESCCc1ccc(CCCCNCC(CF)OC)nc1NC
InChIInChI=1S/C16H28FN3O/c1-4-13-8-9-14(20-16(13)18-2)7-5-6-10-19-12-15(11-17)21-3/h8-9,15,19H,4-7,10-12H2,1-3H3,(H,18,20)
InChIKeyGESREOGTGGCUGZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.58
Rot. Bonds11

About 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine

3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine (PubChem CID 176961899) has the molecular formula C16H28FN3O and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine
PubChem CID176961899
Molecular FormulaC16H28FN3O
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Name3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine
SMILESCCc1ccc(CCCCNCC(CF)OC)nc1NC
InChIInChI=1S/C16H28FN3O/c1-4-13-8-9-14(20-16(13)18-2)7-5-6-10-19-12-15(11-17)21-3/h8-9,15,19H,4-7,10-12H2,1-3H3,(H,18,20)
InChIKeyGESREOGTGGCUGZ-UHFFFAOYSA-N
XLogP2.58
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine (CID 176961899) is 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine is CCc1ccc(CCCCNCC(CF)OC)nc1NC.
What is the InChIKey of 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine?
The InChIKey is GESREOGTGGCUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3O/c1-4-13-8-9-14(20-16(13)18-2)7-5-6-10-19-12-15(11-17)21-3/h8-9,15,19H,4-7,10-12H2,1-3H3,(H,18,20).
What are the key properties of 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine?
3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine has a molecular weight of 297.42 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-[(3-fluoro-2-methoxypropyl)amino]butyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 176961899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).