4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol

C11H16FNO2 — CID 97050882

IUPAC4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
SMILESCOCCN[C@@H](C)c1cc(F)ccc1O
InChIInChI=1S/C11H16FNO2/c1-8(13-5-6-15-2)10-7-9(12)3-4-11(10)14/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyYKDWRNBLDPUVGG-QMMMGPOBSA-N
MW213.25 g/mol
LogP1.83
Rot. Bonds5

About 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol

4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol (PubChem CID 97050882) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
PubChem CID97050882
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
SMILESCOCCN[C@@H](C)c1cc(F)ccc1O
InChIInChI=1S/C11H16FNO2/c1-8(13-5-6-15-2)10-7-9(12)3-4-11(10)14/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyYKDWRNBLDPUVGG-QMMMGPOBSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
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1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
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4-fluoro-2-[1-[(1-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 82882474
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
4-fluoro-2-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]phenol
CID 104581913
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
CID 102977961
4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 104582302
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol (CID 97050882) is 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol is COCCN[C@@H](C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol?
The InChIKey is YKDWRNBLDPUVGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(13-5-6-15-2)10-7-9(12)3-4-11(10)14/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol?
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol has a molecular weight of 213.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol is sourced from PubChem (CID 97050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).