2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol

C14H14FNO2 — CID 64793713

IUPAC2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)c(F)c1)c1cccc(O)c1
InChIInChI=1S/C14H14FNO2/c1-9(10-3-2-4-12(17)7-10)16-11-5-6-14(18)13(15)8-11/h2-9,16-18H,1H3
InChIKeyFVDWRQLJSZGUGJ-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.41
Rot. Bonds3

About 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol

2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol (PubChem CID 64793713) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
PubChem CID64793713
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)c(F)c1)c1cccc(O)c1
InChIInChI=1S/C14H14FNO2/c1-9(10-3-2-4-12(17)7-10)16-11-5-6-14(18)13(15)8-11/h2-9,16-18H,1H3
InChIKeyFVDWRQLJSZGUGJ-UHFFFAOYSA-N
XLogP3.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910
2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
CID 64792600
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]phenol
CID 43193625
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
CID 43744418
3-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 43682811
3-[1-(4-methyl-3-nitroanilino)ethyl]phenol
CID 43718388
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol?
The IUPAC name of 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol (CID 64793713) is 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol?
The canonical SMILES for 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol is CC(Nc1ccc(O)c(F)c1)c1cccc(O)c1.
What is the InChIKey of 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol?
The InChIKey is FVDWRQLJSZGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9(10-3-2-4-12(17)7-10)16-11-5-6-14(18)13(15)8-11/h2-9,16-18H,1H3.
What are the key properties of 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol?
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol has a molecular weight of 247.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol is sourced from PubChem (CID 64793713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).