2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol

C10H13F2NO2 — CID 104581588

IUPAC2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol
SMILESCC(NCCO)c1cc(F)cc(F)c1O
InChIInChI=1S/C10H13F2NO2/c1-6(13-2-3-14)8-4-7(11)5-9(12)10(8)15/h4-6,13-15H,2-3H2,1H3
InChIKeyOLNUCSKENBTNJS-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.31
Rot. Bonds4

About 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol

2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol (PubChem CID 104581588) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol.

Molecular Properties

Compound Name2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol
PubChem CID104581588
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol
SMILESCC(NCCO)c1cc(F)cc(F)c1O
InChIInChI=1S/C10H13F2NO2/c1-6(13-2-3-14)8-4-7(11)5-9(12)10(8)15/h4-6,13-15H,2-3H2,1H3
InChIKeyOLNUCSKENBTNJS-UHFFFAOYSA-N
XLogP1.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoethyl]-4,6-difluorophenol
CID 55255860
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
CID 130730137
4-bromo-2-[1-(but-2-ynylamino)ethyl]-6-fluorophenol
CID 104583639
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
methanol;2,4,6-trifluorophenol
CID 145053745
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol?
The IUPAC name of 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol (CID 104581588) is 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol.
What is the SMILES notation for 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol?
The canonical SMILES for 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol is CC(NCCO)c1cc(F)cc(F)c1O.
What is the InChIKey of 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol?
The InChIKey is OLNUCSKENBTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-6(13-2-3-14)8-4-7(11)5-9(12)10(8)15/h4-6,13-15H,2-3H2,1H3.
What are the key properties of 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol?
2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol has a molecular weight of 217.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[1-(2-hydroxyethylamino)ethyl]phenol is sourced from PubChem (CID 104581588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).