1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol

C13H22N2O2 — CID 79390183

IUPAC1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
SMILESCCOc1cccc(N(CC)CC(C)(C)O)n1
InChIInChI=1S/C13H22N2O2/c1-5-15(10-13(3,4)16)11-8-7-9-12(14-11)17-6-2/h7-9,16H,5-6,10H2,1-4H3
InChIKeyDDOYDOASRLERNP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.08
Rot. Bonds6

About 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol

1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79390183) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79390183
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
SMILESCCOc1cccc(N(CC)CC(C)(C)O)n1
InChIInChI=1S/C13H22N2O2/c1-5-15(10-13(3,4)16)11-8-7-9-12(14-11)17-6-2/h7-9,16H,5-6,10H2,1-4H3
InChIKeyDDOYDOASRLERNP-UHFFFAOYSA-N
XLogP2.08
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol (CID 79390183) is 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol is CCOc1cccc(N(CC)CC(C)(C)O)n1.
What is the InChIKey of 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is DDOYDOASRLERNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-15(10-13(3,4)16)11-8-7-9-12(14-11)17-6-2/h7-9,16H,5-6,10H2,1-4H3.
What are the key properties of 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).