2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol

C17H24N2O4 — CID 174523614

IUPAC2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol
SMILESCOc1cc(C)c(N)c(O)c1OC.Cc1ccc(O)c(N)c1C
InChIInChI=1S/C9H13NO3.C8H11NO/c1-5-4-6(12-2)9(13-3)8(11)7(5)10;1-5-3-4-7(10)8(9)6(5)2/h4,11H,10H2,1-3H3;3-4,10H,9H2,1-2H3
InChIKeyKXYWMMXHGSLLDZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol

2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol (PubChem CID 174523614) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol.

Molecular Properties

Compound Name2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol
PubChem CID174523614
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol
SMILESCOc1cc(C)c(N)c(O)c1OC.Cc1ccc(O)c(N)c1C
InChIInChI=1S/C9H13NO3.C8H11NO/c1-5-4-6(12-2)9(13-3)8(11)7(5)10;1-5-3-4-7(10)8(9)6(5)2/h4,11H,10H2,1-3H3;3-4,10H,9H2,1-2H3
InChIKeyKXYWMMXHGSLLDZ-UHFFFAOYSA-N
XLogP2.89
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,4-dimethylphenol;ethane
CID 145309295
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
6-methoxy-3,4-dimethylbenzene-1,2-diamine
CID 151295831
2,3-diamino-4-methoxyphenol
CID 70465216
3-amino-4-methylbenzene-1,2-diol
CID 54091209
3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol
CID 86195094
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
2,3,5,6-tetramethoxyaniline
CID 19093015
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
5-amino-4,6-dimethoxybenzene-1,3-diol
CID 45091349

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol?
The IUPAC name of 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol (CID 174523614) is 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol.
What is the SMILES notation for 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol?
The canonical SMILES for 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol is COc1cc(C)c(N)c(O)c1OC.Cc1ccc(O)c(N)c1C.
What is the InChIKey of 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol?
The InChIKey is KXYWMMXHGSLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.C8H11NO/c1-5-4-6(12-2)9(13-3)8(11)7(5)10;1-5-3-4-7(10)8(9)6(5)2/h4,11H,10H2,1-3H3;3-4,10H,9H2,1-2H3.
What are the key properties of 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol?
2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol has a molecular weight of 320.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol is sourced from PubChem (CID 174523614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).