3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol

C17H20FNO2 — CID 107714882

IUPAC3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
SMILESCOc1c(C)ccc(NC(C)c2ccc(O)cc2F)c1C
InChIInChI=1S/C17H20FNO2/c1-10-5-8-16(11(2)17(10)21-4)19-12(3)14-7-6-13(20)9-15(14)18/h5-9,12,19-20H,1-4H3
InChIKeyJAROYIISSRORCQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.33
Rot. Bonds4

About 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol

3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol (PubChem CID 107714882) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
PubChem CID107714882
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
SMILESCOc1c(C)ccc(NC(C)c2ccc(O)cc2F)c1C
InChIInChI=1S/C17H20FNO2/c1-10-5-8-16(11(2)17(10)21-4)19-12(3)14-7-6-13(20)9-15(14)18/h5-9,12,19-20H,1-4H3
InChIKeyJAROYIISSRORCQ-UHFFFAOYSA-N
XLogP4.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
CID 107714808
4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
CID 115494162
3-methoxy-2,4-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43739008
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487
4-[1-(4-bromo-3-methoxyanilino)ethyl]-3-fluorophenol
CID 107715362
4-[1-(3-bromo-4-methoxyanilino)ethyl]-3-fluorophenol
CID 107715209
3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43739036
3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
CID 107715262
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol (CID 107714882) is 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol is COc1c(C)ccc(NC(C)c2ccc(O)cc2F)c1C.
What is the InChIKey of 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol?
The InChIKey is JAROYIISSRORCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10-5-8-16(11(2)17(10)21-4)19-12(3)14-7-6-13(20)9-15(14)18/h5-9,12,19-20H,1-4H3.
What are the key properties of 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol?
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol is sourced from PubChem (CID 107714882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).