2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol

C16H28FN3O — CID 83111687

IUPAC2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
SMILESCCCCN(CCO)CCC(NCC)c1ccc(F)cn1
InChIInChI=1S/C16H28FN3O/c1-3-5-9-20(11-12-21)10-8-16(18-4-2)15-7-6-14(17)13-19-15/h6-7,13,16,18,21H,3-5,8-12H2,1-2H3
InChIKeyFJLJHBLGADCLHM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.36
Rot. Bonds11

About 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol

2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol (PubChem CID 83111687) has the molecular formula C16H28FN3O and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
PubChem CID83111687
Molecular FormulaC16H28FN3O
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Name2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
SMILESCCCCN(CCO)CCC(NCC)c1ccc(F)cn1
InChIInChI=1S/C16H28FN3O/c1-3-5-9-20(11-12-21)10-8-16(18-4-2)15-7-6-14(17)13-19-15/h6-7,13,16,18,21H,3-5,8-12H2,1-2H3
InChIKeyFJLJHBLGADCLHM-UHFFFAOYSA-N
XLogP2.36
TPSA48.39 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
CID 79712767
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine
CID 113347329

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol?
The IUPAC name of 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol (CID 83111687) is 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol is CCCCN(CCO)CCC(NCC)c1ccc(F)cn1.
What is the InChIKey of 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol?
The InChIKey is FJLJHBLGADCLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3O/c1-3-5-9-20(11-12-21)10-8-16(18-4-2)15-7-6-14(17)13-19-15/h6-7,13,16,18,21H,3-5,8-12H2,1-2H3.
What are the key properties of 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol?
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol has a molecular weight of 297.42 g/mol, XLogP of 2.36, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol is sourced from PubChem (CID 83111687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).