1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol

C13H19F2NO — CID 110932600

IUPAC1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCC(c1c(F)cccc1F)N(C)CC(C)(C)O
InChIInChI=1S/C13H19F2NO/c1-9(16(4)8-13(2,3)17)12-10(14)6-5-7-11(12)15/h5-7,9,17H,8H2,1-4H3
InChIKeyNKIPELLFQYCUQL-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.73
Rot. Bonds4

About 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol

1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 110932600) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID110932600
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCC(c1c(F)cccc1F)N(C)CC(C)(C)O
InChIInChI=1S/C13H19F2NO/c1-9(16(4)8-13(2,3)17)12-10(14)6-5-7-11(12)15/h5-7,9,17H,8H2,1-4H3
InChIKeyNKIPELLFQYCUQL-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
1-(2-amino-3-fluoro-N-methylanilino)-2-methylpropan-2-ol
CID 79380492
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 63267675
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106058
1-[(2-fluoro-6-nitrophenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 56805798
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (CID 110932600) is 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is CC(c1c(F)cccc1F)N(C)CC(C)(C)O.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is NKIPELLFQYCUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(16(4)8-13(2,3)17)12-10(14)6-5-7-11(12)15/h5-7,9,17H,8H2,1-4H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 243.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 110932600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).