(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol

C15H15F2NO — CID 55184318

IUPAC(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)c1ccccc1F
InChIInChI=1S/C15H15F2NO/c1-10(19)15-12(17)7-5-9-14(15)18(2)13-8-4-3-6-11(13)16/h3-10,19H,1-2H3/t10-/m0/s1
InChIKeyDIVZYHAOHAEXFU-JTQLQIEISA-N
MW263.29 g/mol
LogP3.79
Rot. Bonds3

About (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol

(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol (PubChem CID 55184318) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
PubChem CID55184318
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)c1ccccc1F
InChIInChI=1S/C15H15F2NO/c1-10(19)15-12(17)7-5-9-14(15)18(2)13-8-4-3-6-11(13)16/h3-10,19H,1-2H3/t10-/m0/s1
InChIKeyDIVZYHAOHAEXFU-JTQLQIEISA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 43570328
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol (CID 55184318) is (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)c1ccccc1F.
What is the InChIKey of (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol?
The InChIKey is DIVZYHAOHAEXFU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(19)15-12(17)7-5-9-14(15)18(2)13-8-4-3-6-11(13)16/h3-10,19H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol?
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol has a molecular weight of 263.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 55184318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).