4-(3,5-dimethylanilino)-2-methylphenol

C15H17NO — CID 166451978

IUPAC4-(3,5-dimethylanilino)-2-methylphenol
SMILESCc1cc(C)cc(Nc2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)16-13-4-5-15(17)12(3)9-13/h4-9,16-17H,1-3H3
InChIKeySVERQACUTREAOP-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.06
Rot. Bonds2

About 4-(3,5-dimethylanilino)-2-methylphenol

4-(3,5-dimethylanilino)-2-methylphenol (PubChem CID 166451978) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-2-methylphenol.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-2-methylphenol
PubChem CID166451978
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(3,5-dimethylanilino)-2-methylphenol
SMILESCc1cc(C)cc(Nc2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)16-13-4-5-15(17)12(3)9-13/h4-9,16-17H,1-3H3
InChIKeySVERQACUTREAOP-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxy-3-methylanilino)-2-methylphenol
CID 67263150
CID 172763014
CID 172763014
N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline
CID 135382358
2,4-dimethylphenol
CID 67713801
N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol
CID 20979783
2-bromo-4-(3-bromo-4-hydroxyanilino)phenol
CID 11653374
3-[4-(3,5-dimethylanilino)phenyl]-6-methylbenzene-1,2,4,5-tetrol
CID 145442391
4-[[5-fluoro-2-(4-hydroxy-3-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 22060693
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 143992498

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-2-methylphenol?
The IUPAC name of 4-(3,5-dimethylanilino)-2-methylphenol (CID 166451978) is 4-(3,5-dimethylanilino)-2-methylphenol.
What is the SMILES notation for 4-(3,5-dimethylanilino)-2-methylphenol?
The canonical SMILES for 4-(3,5-dimethylanilino)-2-methylphenol is Cc1cc(C)cc(Nc2ccc(O)c(C)c2)c1.
What is the InChIKey of 4-(3,5-dimethylanilino)-2-methylphenol?
The InChIKey is SVERQACUTREAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)16-13-4-5-15(17)12(3)9-13/h4-9,16-17H,1-3H3.
What are the key properties of 4-(3,5-dimethylanilino)-2-methylphenol?
4-(3,5-dimethylanilino)-2-methylphenol has a molecular weight of 227.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylanilino)-2-methylphenol is sourced from PubChem (CID 166451978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).