3-amino-2-(2,4,5-trimethylphenyl)phenol

C15H17NO — CID 22173924

IUPAC3-amino-2-(2,4,5-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2c(N)cccc2O)cc1C
InChIInChI=1S/C15H17NO/c1-9-7-11(3)12(8-10(9)2)15-13(16)5-4-6-14(15)17/h4-8,17H,16H2,1-3H3
InChIKeyYBXXUOTYQOYCOX-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.57
Rot. Bonds1

About 3-amino-2-(2,4,5-trimethylphenyl)phenol

3-amino-2-(2,4,5-trimethylphenyl)phenol (PubChem CID 22173924) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-amino-2-(2,4,5-trimethylphenyl)phenol.

Molecular Properties

Compound Name3-amino-2-(2,4,5-trimethylphenyl)phenol
PubChem CID22173924
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-amino-2-(2,4,5-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2c(N)cccc2O)cc1C
InChIInChI=1S/C15H17NO/c1-9-7-11(3)12(8-10(9)2)15-13(16)5-4-6-14(15)17/h4-8,17H,16H2,1-3H3
InChIKeyYBXXUOTYQOYCOX-UHFFFAOYSA-N
XLogP3.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.57
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

3-amino-2-(2,5-diaminophenyl)phenol
CID 22173919
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
CID 22173838
4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
CID 70283207
2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 159777739
3,8-dimethylazulen-4-ol
CID 11557365
3-amino-2-(6-methyl-2-pyridinyl)phenol
CID 135788319
3-amino-2-(3,5-dimethoxyphenyl)phenol
CID 22173860
3-amino-2-(5-methyl-2-pyridinyl)phenol
CID 135788298
3-amino-2-methylphenol;hydrate
CID 175262808
4-(2-amino-6-methylphenyl)benzene-1,3-diamine
CID 22061903
3-(2-hydroxy-6-methylphenyl)-2,6-dimethylphenol
CID 101299280

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4,5-trimethylphenyl)phenol?
The IUPAC name of 3-amino-2-(2,4,5-trimethylphenyl)phenol (CID 22173924) is 3-amino-2-(2,4,5-trimethylphenyl)phenol.
What is the SMILES notation for 3-amino-2-(2,4,5-trimethylphenyl)phenol?
The canonical SMILES for 3-amino-2-(2,4,5-trimethylphenyl)phenol is Cc1cc(C)c(-c2c(N)cccc2O)cc1C.
What is the InChIKey of 3-amino-2-(2,4,5-trimethylphenyl)phenol?
The InChIKey is YBXXUOTYQOYCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-9-7-11(3)12(8-10(9)2)15-13(16)5-4-6-14(15)17/h4-8,17H,16H2,1-3H3.
What are the key properties of 3-amino-2-(2,4,5-trimethylphenyl)phenol?
3-amino-2-(2,4,5-trimethylphenyl)phenol has a molecular weight of 227.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4,5-trimethylphenyl)phenol is sourced from PubChem (CID 22173924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).