2-amino-6-chloro-3,4-dimethylphenol

C8H10ClNO — CID 45120159

IUPAC2-amino-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(N)c1C
InChIInChI=1S/C8H10ClNO/c1-4-3-6(9)8(11)7(10)5(4)2/h3,11H,10H2,1-2H3
InChIKeyJLUNPDYEPZTCFK-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.24
Rot. Bonds

About 2-amino-6-chloro-3,4-dimethylphenol

2-amino-6-chloro-3,4-dimethylphenol (PubChem CID 45120159) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-amino-6-chloro-3,4-dimethylphenol.

Molecular Properties

Compound Name2-amino-6-chloro-3,4-dimethylphenol
PubChem CID45120159
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-amino-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(N)c1C
InChIInChI=1S/C8H10ClNO/c1-4-3-6(9)8(11)7(10)5(4)2/h3,11H,10H2,1-2H3
InChIKeyJLUNPDYEPZTCFK-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3,4-dimethylphenol?
The IUPAC name of 2-amino-6-chloro-3,4-dimethylphenol (CID 45120159) is 2-amino-6-chloro-3,4-dimethylphenol.
What is the SMILES notation for 2-amino-6-chloro-3,4-dimethylphenol?
The canonical SMILES for 2-amino-6-chloro-3,4-dimethylphenol is Cc1cc(Cl)c(O)c(N)c1C.
What is the InChIKey of 2-amino-6-chloro-3,4-dimethylphenol?
The InChIKey is JLUNPDYEPZTCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-4-3-6(9)8(11)7(10)5(4)2/h3,11H,10H2,1-2H3.
What are the key properties of 2-amino-6-chloro-3,4-dimethylphenol?
2-amino-6-chloro-3,4-dimethylphenol has a molecular weight of 171.63 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3,4-dimethylphenol is sourced from PubChem (CID 45120159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).