2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol

C12H20FN3O — CID 83126078

IUPAC2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
SMILESCNC(CCN(C)CCO)c1ccc(F)cn1
InChIInChI=1S/C12H20FN3O/c1-14-11(5-6-16(2)7-8-17)12-4-3-10(13)9-15-12/h3-4,9,11,14,17H,5-8H2,1-2H3
InChIKeyGCNMXEAWFZERDH-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.80
Rot. Bonds7

About 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol

2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol (PubChem CID 83126078) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
PubChem CID83126078
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
SMILESCNC(CCN(C)CCO)c1ccc(F)cn1
InChIInChI=1S/C12H20FN3O/c1-14-11(5-6-16(2)7-8-17)12-4-3-10(13)9-15-12/h3-4,9,11,14,17H,5-8H2,1-2H3
InChIKeyGCNMXEAWFZERDH-UHFFFAOYSA-N
XLogP0.80
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
CID 83111882
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 83109313
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol?
The IUPAC name of 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol (CID 83126078) is 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol?
The canonical SMILES for 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol is CNC(CCN(C)CCO)c1ccc(F)cn1.
What is the InChIKey of 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol?
The InChIKey is GCNMXEAWFZERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-14-11(5-6-16(2)7-8-17)12-4-3-10(13)9-15-12/h3-4,9,11,14,17H,5-8H2,1-2H3.
What are the key properties of 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol?
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol has a molecular weight of 241.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol is sourced from PubChem (CID 83126078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).