3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol

C16H18FNO2 — CID 63064990

IUPAC3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2O)c(C)c1O
InChIInChI=1S/C16H18FNO2/c1-9-4-7-14(10(2)16(9)20)18-11(3)13-6-5-12(17)8-15(13)19/h4-8,11,18-20H,1-3H3
InChIKeyCTORZUFWKASRRQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.03
Rot. Bonds3

About 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol

3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol (PubChem CID 63064990) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
PubChem CID63064990
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2O)c(C)c1O
InChIInChI=1S/C16H18FNO2/c1-9-4-7-14(10(2)16(9)20)18-11(3)13-6-5-12(17)8-15(13)19/h4-8,11,18-20H,1-3H3
InChIKeyCTORZUFWKASRRQ-UHFFFAOYSA-N
XLogP4.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.03
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

3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol
CID 104726068
2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456
4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
CID 79769236
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol (CID 63064990) is 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol is Cc1ccc(NC(C)c2ccc(F)cc2O)c(C)c1O.
What is the InChIKey of 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
The InChIKey is CTORZUFWKASRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-9-4-7-14(10(2)16(9)20)18-11(3)13-6-5-12(17)8-15(13)19/h4-8,11,18-20H,1-3H3.
What are the key properties of 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol has a molecular weight of 275.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol is sourced from PubChem (CID 63064990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).