6-amino-2,3-dimethoxy-4-methylphenol

C9H13NO3 — CID 84658981

IUPAC6-amino-2,3-dimethoxy-4-methylphenol
SMILESCOc1c(C)cc(N)c(O)c1OC
InChIInChI=1S/C9H13NO3/c1-5-4-6(10)7(11)9(13-3)8(5)12-2/h4,11H,10H2,1-3H3
InChIKeyFKZMWSOWABMRRZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.30
Rot. Bonds2

About 6-amino-2,3-dimethoxy-4-methylphenol

6-amino-2,3-dimethoxy-4-methylphenol (PubChem CID 84658981) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-amino-2,3-dimethoxy-4-methylphenol.

Molecular Properties

Compound Name6-amino-2,3-dimethoxy-4-methylphenol
PubChem CID84658981
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name6-amino-2,3-dimethoxy-4-methylphenol
SMILESCOc1c(C)cc(N)c(O)c1OC
InChIInChI=1S/C9H13NO3/c1-5-4-6(10)7(11)9(13-3)8(5)12-2/h4,11H,10H2,1-3H3
InChIKeyFKZMWSOWABMRRZ-UHFFFAOYSA-N
XLogP1.30
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3,5-dimethylphenol
CID 643378
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228
3-amino-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84667419
2-amino-4-[(3-amino-4-hydroxy-2-methoxy-5-methylphenyl)methyl]-3-methoxy-6-methylphenol
CID 59194594
2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
CID 19003912
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
6-amino-4-methoxy-1-methylindol-5-ol
CID 84663887
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
6-amino-2,3-difluoro-4-methylphenol
CID 59444170
6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol
CID 84675296

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethoxy-4-methylphenol?
The IUPAC name of 6-amino-2,3-dimethoxy-4-methylphenol (CID 84658981) is 6-amino-2,3-dimethoxy-4-methylphenol.
What is the SMILES notation for 6-amino-2,3-dimethoxy-4-methylphenol?
The canonical SMILES for 6-amino-2,3-dimethoxy-4-methylphenol is COc1c(C)cc(N)c(O)c1OC.
What is the InChIKey of 6-amino-2,3-dimethoxy-4-methylphenol?
The InChIKey is FKZMWSOWABMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-4-6(10)7(11)9(13-3)8(5)12-2/h4,11H,10H2,1-3H3.
What are the key properties of 6-amino-2,3-dimethoxy-4-methylphenol?
6-amino-2,3-dimethoxy-4-methylphenol has a molecular weight of 183.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethoxy-4-methylphenol is sourced from PubChem (CID 84658981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).