2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol

C15H26FN3O — CID 104554713

IUPAC2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
SMILESCCNC(c1ccc(F)cn1)C(C)CN(C)C(C)CO
InChIInChI=1S/C15H26FN3O/c1-5-17-15(14-7-6-13(16)8-18-14)11(2)9-19(4)12(3)10-20/h6-8,11-12,15,17,20H,5,9-10H2,1-4H3
InChIKeyMAABDXJFSVJUJC-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.82
Rot. Bonds8

About 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol

2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol (PubChem CID 104554713) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
PubChem CID104554713
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC Name2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
SMILESCCNC(c1ccc(F)cn1)C(C)CN(C)C(C)CO
InChIInChI=1S/C15H26FN3O/c1-5-17-15(14-7-6-13(16)8-18-14)11(2)9-19(4)12(3)10-20/h6-8,11-12,15,17,20H,5,9-10H2,1-4H3
InChIKeyMAABDXJFSVJUJC-UHFFFAOYSA-N
XLogP1.82
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol (CID 104554713) is 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol is CCNC(c1ccc(F)cn1)C(C)CN(C)C(C)CO.
What is the InChIKey of 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol?
The InChIKey is MAABDXJFSVJUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-5-17-15(14-7-6-13(16)8-18-14)11(2)9-19(4)12(3)10-20/h6-8,11-12,15,17,20H,5,9-10H2,1-4H3.
What are the key properties of 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol?
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).