2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol

C15H14Cl2FNO2 — CID 107678944

IUPAC2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
SMILESCOc1ccc(C(C)Nc2cc(Cl)c(O)c(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FNO2/c1-8(9-3-4-14(21-2)13(18)5-9)19-10-6-11(16)15(20)12(17)7-10/h3-8,19-20H,1-2H3
InChIKeyXPQXURZJMBPBOA-UHFFFAOYSA-N
MW330.19 g/mol
LogP5.02
Rot. Bonds4

About 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol

2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol (PubChem CID 107678944) has the molecular formula C15H14Cl2FNO2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
PubChem CID107678944
Molecular FormulaC15H14Cl2FNO2
Molecular Weight330.19 g/mol
Exact Mass329.04
IUPAC Name2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
SMILESCOc1ccc(C(C)Nc2cc(Cl)c(O)c(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FNO2/c1-8(9-3-4-14(21-2)13(18)5-9)19-10-6-11(16)15(20)12(17)7-10/h3-8,19-20H,1-2H3
InChIKeyXPQXURZJMBPBOA-UHFFFAOYSA-N
XLogP5.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.19
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzoic acid
CID 43139175
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol (CID 107678944) is 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol is COc1ccc(C(C)Nc2cc(Cl)c(O)c(Cl)c2)cc1F.
What is the InChIKey of 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol?
The InChIKey is XPQXURZJMBPBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2/c1-8(9-3-4-14(21-2)13(18)5-9)19-10-6-11(16)15(20)12(17)7-10/h3-8,19-20H,1-2H3.
What are the key properties of 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol?
2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol has a molecular weight of 330.19 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol is sourced from PubChem (CID 107678944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).