5-amino-2,3-dimethylphenol

C8H11NO — CID 19103332

IUPAC5-amino-2,3-dimethylphenol
SMILESCc1cc(N)cc(O)c1C
InChIInChI=1S/C8H11NO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,9H2,1-2H3
InChIKeyDVECBUWKXMPCAA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.59
Rot. Bonds

About 5-amino-2,3-dimethylphenol

5-amino-2,3-dimethylphenol (PubChem CID 19103332) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-amino-2,3-dimethylphenol.

Molecular Properties

Compound Name5-amino-2,3-dimethylphenol
PubChem CID19103332
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-amino-2,3-dimethylphenol
SMILESCc1cc(N)cc(O)c1C
InChIInChI=1S/C8H11NO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,9H2,1-2H3
InChIKeyDVECBUWKXMPCAA-UHFFFAOYSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-methylphenol
CID 17818
2-Amino-4,5-dimethylphenol
CID 81099
7-Amino-2-naphthalenol
CID 66732
7-Amino-1-naphthol
CID 40116
6-Aminonaphthol
CID 90295
4-Hydroxyxylidine
CID 76542
3''-Amino-4-(1,1-dimethyl-heptyl)-biphenyl-2-ol
CID 44431966
2-Amino-5-(2-amino-propyl)-benzene-1,4-diol
CID 10035262
6-Amino-2-naphthalenol
CID 428605
3-Amino-5-methylphenol
CID 3018667
8-Aminonaphthol
CID 94906
2-Amino-o-cresol
CID 104448

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethylphenol?
The IUPAC name of 5-amino-2,3-dimethylphenol (CID 19103332) is 5-amino-2,3-dimethylphenol.
What is the SMILES notation for 5-amino-2,3-dimethylphenol?
The canonical SMILES for 5-amino-2,3-dimethylphenol is Cc1cc(N)cc(O)c1C.
What is the InChIKey of 5-amino-2,3-dimethylphenol?
The InChIKey is DVECBUWKXMPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,9H2,1-2H3.
What are the key properties of 5-amino-2,3-dimethylphenol?
5-amino-2,3-dimethylphenol has a molecular weight of 137.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethylphenol is sourced from PubChem (CID 19103332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).