6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine

C19H26FN3 — CID 130449158

IUPAC6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2)c1
InChIInChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)
InChIKeyQAFLXFWRGFNYKW-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.39
Rot. Bonds7

About 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 130449158) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID130449158
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2)c1
InChIInChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)
InChIKeyQAFLXFWRGFNYKW-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine (CID 130449158) is 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2)c1.
What is the InChIKey of 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is QAFLXFWRGFNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22).
What are the key properties of 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 315.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 130449158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).