(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol

C15H18FNOS — CID 78940338

IUPAC(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol
SMILESCC(c1cccs1)N(C)c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C15H18FNOS/c1-10(14-8-5-9-19-14)17(3)13-7-4-6-12(16)15(13)11(2)18/h4-11,18H,1-3H3/t10?,11-/m0/s1
InChIKeyAOUKSXBAXYSYII-DTIOYNMSSA-N
MW279.38 g/mol
LogP4.14
Rot. Bonds4

About (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol

(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol (PubChem CID 78940338) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol
PubChem CID78940338
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol
SMILESCC(c1cccs1)N(C)c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C15H18FNOS/c1-10(14-8-5-9-19-14)17(3)13-7-4-6-12(16)15(13)11(2)18/h4-11,18H,1-3H3/t10?,11-/m0/s1
InChIKeyAOUKSXBAXYSYII-DTIOYNMSSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
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(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
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CID 54980798
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CID 63965516
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(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol (CID 78940338) is (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol is CC(c1cccs1)N(C)c1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol?
The InChIKey is AOUKSXBAXYSYII-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-10(14-8-5-9-19-14)17(3)13-7-4-6-12(16)15(13)11(2)18/h4-11,18H,1-3H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol has a molecular weight of 279.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78940338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).