2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride

C18H14Cl2F4N2O2 — CID 50944455

IUPAC2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2N)c(F)c1F
InChIInChI=1S/C18H12F4N2O2.2ClH/c19-13-15(21)18(26-12-8-4-2-6-10(12)24)16(22)14(20)17(13)25-11-7-3-1-5-9(11)23;;/h1-8H,23-24H2;2*1H
InChIKeyJXFUEUSZXTXDJE-UHFFFAOYSA-N
MW437.22 g/mol
LogP5.84
Rot. Bonds4

About 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride

2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride (PubChem CID 50944455) has the molecular formula C18H14Cl2F4N2O2 and a molecular weight of 437.22 g/mol. Its IUPAC name is 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
PubChem CID50944455
Molecular FormulaC18H14Cl2F4N2O2
Molecular Weight437.22 g/mol
Exact Mass436.04
IUPAC Name2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2N)c(F)c1F
InChIInChI=1S/C18H12F4N2O2.2ClH/c19-13-15(21)18(26-12-8-4-2-6-10(12)24)16(22)14(20)17(13)25-11-7-3-1-5-9(11)23;;/h1-8H,23-24H2;2*1H
InChIKeyJXFUEUSZXTXDJE-UHFFFAOYSA-N
XLogP5.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
4-(2,3,4,5,6-pentafluorophenoxy)benzene-1,3-diamine
CID 14512800
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
4-[2-(4-amino-2,3,5-trifluoro-6-methylphenoxy)phenoxy]-2,3,6-trifluoro-5-methylaniline
CID 22058912
2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2-hydroxyphenoxy)phenyl]phenoxy]phenol
CID 3092907
2-methoxyaniline;dihydrochloride
CID 69020746
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
2-(furan-3-yloxy)aniline
CID 83619752
2-methoxyaniline;titanium;trihydrochloride
CID 174872226

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride?
The IUPAC name of 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride (CID 50944455) is 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride.
What is the SMILES notation for 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride?
The canonical SMILES for 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride is Cl.Cl.Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2N)c(F)c1F.
What is the InChIKey of 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride?
The InChIKey is JXFUEUSZXTXDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2.2ClH/c19-13-15(21)18(26-12-8-4-2-6-10(12)24)16(22)14(20)17(13)25-11-7-3-1-5-9(11)23;;/h1-8H,23-24H2;2*1H.
What are the key properties of 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride?
2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride has a molecular weight of 437.22 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride is sourced from PubChem (CID 50944455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).