6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine

C18H24FN3 — CID 130449136

IUPAC6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeyPEJWJTGGAYICCM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.05
Rot. Bonds7

About 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 130449136) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID130449136
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeyPEJWJTGGAYICCM-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
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 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine (CID 130449136) is 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine is CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is PEJWJTGGAYICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22).
What are the key properties of 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 301.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-fluoro-5-[3-(methylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 130449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).