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

C14H10Cl4FNO — CID 107679459

IUPAC2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl4FNO/c1-6(12-8(15)2-3-11(19)13(12)18)20-7-4-9(16)14(21)10(17)5-7/h2-6,20-21H,1H3
InChIKeyKGVJWPNHZYDJKF-UHFFFAOYSA-N
MW369.05 g/mol
LogP6.32
Rot. Bonds3

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

2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol (PubChem CID 107679459) has the molecular formula C14H10Cl4FNO and a molecular weight of 369.05 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
PubChem CID107679459
Molecular FormulaC14H10Cl4FNO
Molecular Weight369.05 g/mol
Exact Mass366.95
IUPAC Name2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl4FNO/c1-6(12-8(15)2-3-11(19)13(12)18)20-7-4-9(16)14(21)10(17)5-7/h2-6,20-21H,1H3
InChIKeyKGVJWPNHZYDJKF-UHFFFAOYSA-N
XLogP6.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476345
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]benzoic acid
CID 43545183
2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,5-dimethylaniline
CID 43545101
3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
CID 107678944
[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
CID 43743261
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
3-chloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]benzonitrile
CID 107807600
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43545055

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol (CID 107679459) is 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol is CC(Nc1cc(Cl)c(O)c(Cl)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol?
The InChIKey is KGVJWPNHZYDJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4FNO/c1-6(12-8(15)2-3-11(19)13(12)18)20-7-4-9(16)14(21)10(17)5-7/h2-6,20-21H,1H3.
What are the key properties of 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol?
2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol has a molecular weight of 369.05 g/mol, XLogP of 6.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol is sourced from PubChem (CID 107679459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).