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

C17H20FNO2 — CID 106259746

IUPAC3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccccc1CCNC(C)c1ccc(O)cc1F
InChIInChI=1S/C17H20FNO2/c1-12(15-8-7-14(20)11-16(15)18)19-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyKISUIUJZLPTTSB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.43
Rot. Bonds6

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

3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol (PubChem CID 106259746) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol
PubChem CID106259746
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccccc1CCNC(C)c1ccc(O)cc1F
InChIInChI=1S/C17H20FNO2/c1-12(15-8-7-14(20)11-16(15)18)19-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyKISUIUJZLPTTSB-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259760
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259694
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
CID 107715491
3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
CID 107714930
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol (CID 106259746) is 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol is COc1ccccc1CCNC(C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol?
The InChIKey is KISUIUJZLPTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(15-8-7-14(20)11-16(15)18)19-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,19-20H,9-10H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol?
3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 106259746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).