2-amino-3-chloro-5-methoxy-4,6-dimethylphenol

C9H12ClNO2 — CID 84670347

IUPAC2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
SMILESCOc1c(C)c(O)c(N)c(Cl)c1C
InChIInChI=1S/C9H12ClNO2/c1-4-6(10)7(11)8(12)5(2)9(4)13-3/h12H,11H2,1-3H3
InChIKeyCCLIJGKIKFDTHN-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.25
Rot. Bonds1

About 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol

2-amino-3-chloro-5-methoxy-4,6-dimethylphenol (PubChem CID 84670347) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol.

Molecular Properties

Compound Name2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
PubChem CID84670347
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
SMILESCOc1c(C)c(O)c(N)c(Cl)c1C
InChIInChI=1S/C9H12ClNO2/c1-4-6(10)7(11)8(12)5(2)9(4)13-3/h12H,11H2,1-3H3
InChIKeyCCLIJGKIKFDTHN-UHFFFAOYSA-N
XLogP2.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817257
2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol
CID 90747803
2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol
CID 117361456
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
CID 117406019
methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
CID 71715743
3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
CID 146683483

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol?
The IUPAC name of 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol (CID 84670347) is 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol.
What is the SMILES notation for 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol?
The canonical SMILES for 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol is COc1c(C)c(O)c(N)c(Cl)c1C.
What is the InChIKey of 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol?
The InChIKey is CCLIJGKIKFDTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-4-6(10)7(11)8(12)5(2)9(4)13-3/h12H,11H2,1-3H3.
What are the key properties of 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol?
2-amino-3-chloro-5-methoxy-4,6-dimethylphenol has a molecular weight of 201.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-5-methoxy-4,6-dimethylphenol is sourced from PubChem (CID 84670347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).