1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol

C15H16F2N2O — CID 62321964

IUPAC1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
SMILESCc1cccc(CNCC(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C15H16F2N2O/c1-10-3-2-4-12(19-10)8-18-9-15(20)13-6-5-11(16)7-14(13)17/h2-7,15,18,20H,8-9H2,1H3
InChIKeyLTHDBQXVEGCXRS-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol

1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol (PubChem CID 62321964) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
PubChem CID62321964
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
SMILESCc1cccc(CNCC(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C15H16F2N2O/c1-10-3-2-4-12(19-10)8-18-9-15(20)13-6-5-11(16)7-14(13)17/h2-7,15,18,20H,8-9H2,1H3
InChIKeyLTHDBQXVEGCXRS-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
CID 65243575
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
CID 112727185
1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol
CID 167864929
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol (CID 62321964) is 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol is Cc1cccc(CNCC(O)c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol?
The InChIKey is LTHDBQXVEGCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-3-2-4-12(19-10)8-18-9-15(20)13-6-5-11(16)7-14(13)17/h2-7,15,18,20H,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol?
1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol has a molecular weight of 278.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 62321964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).