1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol

C17H20F2N2O2 — CID 167864929

IUPAC1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol
SMILESCc1nc(CNCC(O)c2c(F)cccc2F)ccc1C(C)O
InChIInChI=1S/C17H20F2N2O2/c1-10-13(11(2)22)7-6-12(21-10)8-20-9-16(23)17-14(18)4-3-5-15(17)19/h3-7,11,16,20,22-23H,8-9H2,1-2H3
InChIKeySGNYFXRJRATVHL-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.54
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol

1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol (PubChem CID 167864929) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol
PubChem CID167864929
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol
SMILESCc1nc(CNCC(O)c2c(F)cccc2F)ccc1C(C)O
InChIInChI=1S/C17H20F2N2O2/c1-10-13(11(2)22)7-6-12(21-10)8-20-9-16(23)17-14(18)4-3-5-15(17)19/h3-7,11,16,20,22-23H,8-9H2,1-2H3
InChIKeySGNYFXRJRATVHL-UHFFFAOYSA-N
XLogP2.54
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
CID 62321964
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol (CID 167864929) is 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol is Cc1nc(CNCC(O)c2c(F)cccc2F)ccc1C(C)O.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol?
The InChIKey is SGNYFXRJRATVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-10-13(11(2)22)7-6-12(21-10)8-20-9-16(23)17-14(18)4-3-5-15(17)19/h3-7,11,16,20,22-23H,8-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol?
1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol has a molecular weight of 322.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 167864929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).