2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol

C13H12Cl2N2O — CID 107678914

IUPAC2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H12Cl2N2O/c1-8(9-2-4-16-5-3-9)17-10-6-11(14)13(18)12(15)7-10/h2-8,17-18H,1H3
InChIKeyNNIVOHNDORYRQB-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.27
Rot. Bonds3

About 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol

2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol (PubChem CID 107678914) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol
PubChem CID107678914
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H12Cl2N2O/c1-8(9-2-4-16-5-3-9)17-10-6-11(14)13(18)12(15)7-10/h2-8,17-18H,1H3
InChIKeyNNIVOHNDORYRQB-UHFFFAOYSA-N
XLogP4.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.27
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

3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
CID 107678944
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
2-[1-(3,5-dichloro-4-hydroxyanilino)ethyl]benzene-1,4-diol
CID 107679453

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol (CID 107678914) is 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol is CC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccncc1.
What is the InChIKey of 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol?
The InChIKey is NNIVOHNDORYRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8(9-2-4-16-5-3-9)17-10-6-11(14)13(18)12(15)7-10/h2-8,17-18H,1H3.
What are the key properties of 2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol?
2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol has a molecular weight of 283.16 g/mol, XLogP of 4.27, 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-pyridin-4-ylethylamino)phenol is sourced from PubChem (CID 107678914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).