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

C12H20FN3O — CID 83125861

IUPAC2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C12H20FN3O/c1-2-16(7-8-17)6-5-11(14)12-4-3-10(13)9-15-12/h3-4,9,11,17H,2,5-8,14H2,1H3
InChIKeyMOFPBVUPZVDJGS-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.92
Rot. Bonds7

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

2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol (PubChem CID 83125861) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
PubChem CID83125861
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C12H20FN3O/c1-2-16(7-8-17)6-5-11(14)12-4-3-10(13)9-15-12/h3-4,9,11,17H,2,5-8,14H2,1H3
InChIKeyMOFPBVUPZVDJGS-UHFFFAOYSA-N
XLogP0.92
TPSA62.38 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 83126304
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126650
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 83126860
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol (CID 83125861) is 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol is CCN(CCO)CCC(N)c1ccc(F)cn1.
What is the InChIKey of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol?
The InChIKey is MOFPBVUPZVDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-2-16(7-8-17)6-5-11(14)12-4-3-10(13)9-15-12/h3-4,9,11,17H,2,5-8,14H2,1H3.
What are the key properties of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol?
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol has a molecular weight of 241.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol is sourced from PubChem (CID 83125861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).