1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol

C14H24FN3O — CID 83126304

IUPAC1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CCC(N)c1ccc(F)cn1)CC(C)(C)O
InChIInChI=1S/C14H24FN3O/c1-4-18(10-14(2,3)19)8-7-12(16)13-6-5-11(15)9-17-13/h5-6,9,12,19H,4,7-8,10,16H2,1-3H3
InChIKeyLGWTXQNQMHZWEB-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.70
Rot. Bonds7

About 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol

1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 83126304) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID83126304
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CCC(N)c1ccc(F)cn1)CC(C)(C)O
InChIInChI=1S/C14H24FN3O/c1-4-18(10-14(2,3)19)8-7-12(16)13-6-5-11(15)9-17-13/h5-6,9,12,19H,4,7-8,10,16H2,1-3H3
InChIKeyLGWTXQNQMHZWEB-UHFFFAOYSA-N
XLogP1.70
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol (CID 83126304) is 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol is CCN(CCC(N)c1ccc(F)cn1)CC(C)(C)O.
What is the InChIKey of 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is LGWTXQNQMHZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-4-18(10-14(2,3)19)8-7-12(16)13-6-5-11(15)9-17-13/h5-6,9,12,19H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol?
1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 83126304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).