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

C16H18Cl2N2O — CID 107679467

IUPAC2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
SMILESCc1cc(C)c(C(C)Nc2cc(Cl)c(O)c(Cl)c2)c(C)n1
InChIInChI=1S/C16H18Cl2N2O/c1-8-5-9(2)19-10(3)15(8)11(4)20-12-6-13(17)16(21)14(18)7-12/h5-7,11,20-21H,1-4H3
InChIKeyRUWDVGSZDOIPNZ-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.19
Rot. Bonds3

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

2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol (PubChem CID 107679467) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
PubChem CID107679467
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
SMILESCc1cc(C)c(C(C)Nc2cc(Cl)c(O)c(Cl)c2)c(C)n1
InChIInChI=1S/C16H18Cl2N2O/c1-8-5-9(2)19-10(3)15(8)11(4)20-12-6-13(17)16(21)14(18)7-12/h5-7,11,20-21H,1-4H3
InChIKeyRUWDVGSZDOIPNZ-UHFFFAOYSA-N
XLogP5.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.19
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

4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43760599
3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43765047
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 43771050
2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43772215
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
CID 43776909
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
(1R)-1-(2,4,6-trimethyl-3-pyridinyl)ethanol
CID 63365086
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol
CID 107678914
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol (CID 107679467) is 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol is Cc1cc(C)c(C(C)Nc2cc(Cl)c(O)c(Cl)c2)c(C)n1.
What is the InChIKey of 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
The InChIKey is RUWDVGSZDOIPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-8-5-9(2)19-10(3)15(8)11(4)20-12-6-13(17)16(21)14(18)7-12/h5-7,11,20-21H,1-4H3.
What are the key properties of 2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol has a molecular weight of 325.24 g/mol, XLogP of 5.19, 3 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-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol is sourced from PubChem (CID 107679467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).