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

C13H22FN3O — CID 83126362

IUPAC2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H22FN3O/c1-10(2)17(7-8-18)6-5-12(15)13-4-3-11(14)9-16-13/h3-4,9-10,12,18H,5-8,15H2,1-2H3
InChIKeyJHVXROQKCFLRCE-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.31
Rot. Bonds7

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

2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol (PubChem CID 83126362) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
PubChem CID83126362
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H22FN3O/c1-10(2)17(7-8-18)6-5-12(15)13-4-3-11(14)9-16-13/h3-4,9-10,12,18H,5-8,15H2,1-2H3
InChIKeyJHVXROQKCFLRCE-UHFFFAOYSA-N
XLogP1.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol (CID 83126362) is 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol is CC(C)N(CCO)CCC(N)c1ccc(F)cn1.
What is the InChIKey of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol?
The InChIKey is JHVXROQKCFLRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-10(2)17(7-8-18)6-5-12(15)13-4-3-11(14)9-16-13/h3-4,9-10,12,18H,5-8,15H2,1-2H3.
What are the key properties of 2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol?
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol has a molecular weight of 255.34 g/mol, XLogP of 1.31, 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]-propan-2-ylamino]ethanol is sourced from PubChem (CID 83126362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).