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

C11H17FN2O — CID 123714594

IUPAC1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCCc1cnc(NCC(C)(C)O)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-4-8-5-9(12)10(13-6-8)14-7-11(2,3)15/h5-6,15H,4,7H2,1-3H3,(H,13,14)
InChIKeyZKIAQGRUXKSVMZ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.97
Rot. Bonds4

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

1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol (PubChem CID 123714594) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
PubChem CID123714594
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCCc1cnc(NCC(C)(C)O)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-4-8-5-9(12)10(13-6-8)14-7-11(2,3)15/h5-6,15H,4,7H2,1-3H3,(H,13,14)
InChIKeyZKIAQGRUXKSVMZ-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol (CID 123714594) is 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol is CCc1cnc(NCC(C)(C)O)c(F)c1.
What is the InChIKey of 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The InChIKey is ZKIAQGRUXKSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-4-8-5-9(12)10(13-6-8)14-7-11(2,3)15/h5-6,15H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 123714594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).