6-amino-2,4-dichloro-3-ethylphenol

C8H9Cl2NO — CID 11769652

IUPAC6-amino-2,4-dichloro-3-ethylphenol
SMILESCCc1c(Cl)cc(N)c(O)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-2-4-5(9)3-6(11)8(12)7(4)10/h3,12H,2,11H2,1H3
InChIKeyQMRQXLFENCRBNZ-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.84
Rot. Bonds1

About 6-amino-2,4-dichloro-3-ethylphenol

6-amino-2,4-dichloro-3-ethylphenol (PubChem CID 11769652) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 6-amino-2,4-dichloro-3-ethylphenol.

Molecular Properties

Compound Name6-amino-2,4-dichloro-3-ethylphenol
PubChem CID11769652
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name6-amino-2,4-dichloro-3-ethylphenol
SMILESCCc1c(Cl)cc(N)c(O)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-2-4-5(9)3-6(11)8(12)7(4)10/h3,12H,2,11H2,1H3
InChIKeyQMRQXLFENCRBNZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-2,4-dichloro-m-cresol hydrochloride
CID 170223
2-Amino-4,6-dichloro-5-methylphenol
CID 170224
2,4-Dichloro-3-ethyl-6-nitrophenol
CID 7020339
Phenol, 6-amino-2,4-dichloro-3-ethyl-, hydrochloride (1:1)
CID 13651322
Hexadecanamide, N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-
CID 14344747
Phenol, 6-amino-2,4-dichloro-3-ethyl-, sulfate (2:1)
CID 44149152
2-Amino-4-chloro-3,5-dimethyl-phenol hydrochloride
CID 16192990
2-Amino-4-chloro-3,5-dimethylphenol
CID 224484
4-Amino-2,6-dichloro-3-methylphenol
CID 12039354
2-Amino-4-chloro-5-methylphenol
CID 104524
Phenol, 2,4-dichloro-3-methyl-6-nitro-
CID 170222
N-(3,5-Dichloro-2-hydroxy-4-methylphenyl)acetamide
CID 13796880

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,4-dichloro-3-ethylphenol?
The IUPAC name of 6-amino-2,4-dichloro-3-ethylphenol (CID 11769652) is 6-amino-2,4-dichloro-3-ethylphenol.
What is the SMILES notation for 6-amino-2,4-dichloro-3-ethylphenol?
The canonical SMILES for 6-amino-2,4-dichloro-3-ethylphenol is CCc1c(Cl)cc(N)c(O)c1Cl.
What is the InChIKey of 6-amino-2,4-dichloro-3-ethylphenol?
The InChIKey is QMRQXLFENCRBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-2-4-5(9)3-6(11)8(12)7(4)10/h3,12H,2,11H2,1H3.
What are the key properties of 6-amino-2,4-dichloro-3-ethylphenol?
6-amino-2,4-dichloro-3-ethylphenol has a molecular weight of 206.07 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4-dichloro-3-ethylphenol is sourced from PubChem (CID 11769652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).