2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol

C16H18Cl2N2O2 — CID 11302263

IUPAC2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H18Cl2N2O2/c1-16(2,10-21)20-15-7-6-11(8-19-15)22-9-12-13(17)4-3-5-14(12)18/h3-8,21H,9-10H2,1-2H3,(H,19,20)
InChIKeyOTWYHKXYRABIHE-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.15
Rot. Bonds6

About 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol

2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol (PubChem CID 11302263) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol
PubChem CID11302263
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H18Cl2N2O2/c1-16(2,10-21)20-15-7-6-11(8-19-15)22-9-12-13(17)4-3-5-14(12)18/h3-8,21H,9-10H2,1-2H3,(H,19,20)
InChIKeyOTWYHKXYRABIHE-UHFFFAOYSA-N
XLogP4.15
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol (CID 11302263) is 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol?
The InChIKey is OTWYHKXYRABIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-16(2,10-21)20-15-7-6-11(8-19-15)22-9-12-13(17)4-3-5-14(12)18/h3-8,21H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol?
2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol has a molecular weight of 341.24 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 11302263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).