2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol

C17H21FN2O — CID 78928427

IUPAC2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC(c2ccc(F)cc2)C(C)C)n1
InChIInChI=1S/C17H21FN2O/c1-11(2)17(13-5-7-14(18)8-6-13)19-10-15-16(21)9-4-12(3)20-15/h4-9,11,17,19,21H,10H2,1-3H3
InChIKeyMZPIMVMNSWRREK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.72
Rot. Bonds5

About 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928427) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID78928427
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC(c2ccc(F)cc2)C(C)C)n1
InChIInChI=1S/C17H21FN2O/c1-11(2)17(13-5-7-14(18)8-6-13)19-10-15-16(21)9-4-12(3)20-15/h4-9,11,17,19,21H,10H2,1-3H3
InChIKeyMZPIMVMNSWRREK-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol (CID 78928427) is 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNC(c2ccc(F)cc2)C(C)C)n1.
What is the InChIKey of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is MZPIMVMNSWRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11(2)17(13-5-7-14(18)8-6-13)19-10-15-16(21)9-4-12(3)20-15/h4-9,11,17,19,21H,10H2,1-3H3.
What are the key properties of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 288.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).