3-(2,4,6-trimethylanilino)phenol

C15H17NO — CID 127045202

IUPAC3-(2,4,6-trimethylanilino)phenol
SMILESCc1cc(C)c(Nc2cccc(O)c2)c(C)c1
InChIInChI=1S/C15H17NO/c1-10-7-11(2)15(12(3)8-10)16-13-5-4-6-14(17)9-13/h4-9,16-17H,1-3H3
InChIKeySHLAKQCBWVWGQF-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.06
Rot. Bonds2

About 3-(2,4,6-trimethylanilino)phenol

3-(2,4,6-trimethylanilino)phenol (PubChem CID 127045202) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(2,4,6-trimethylanilino)phenol.

Molecular Properties

Compound Name3-(2,4,6-trimethylanilino)phenol
PubChem CID127045202
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(2,4,6-trimethylanilino)phenol
SMILESCc1cc(C)c(Nc2cccc(O)c2)c(C)c1
InChIInChI=1S/C15H17NO/c1-10-7-11(2)15(12(3)8-10)16-13-5-4-6-14(17)9-13/h4-9,16-17H,1-3H3
InChIKeySHLAKQCBWVWGQF-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

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Related Compounds

3-Hydroxy-N-phenylaniline
CID 7546
3-Ethylamino-4-methylphenol
CID 8428
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
4-Hydroxy-4'-methyldiphenylamine
CID 344299
Bis[ethyl(4-hydroxy-o-tolyl)ammonium] sulphate
CID 109925
m-(o-Toluidino)phenol
CID 80436
2-{[(2,4-Dimethylphenyl)amino]methyl}phenol
CID 292419
2,6-Dimethyl-4-p-tolylamino-phenol
CID 767399
3-Methylamino-4-methylphenol
CID 22639
m-(p-Toluidino)phenol
CID 109096
3-Amino-2,6-dimethylphenol
CID 81477
2-[(2-Methylanilino)methyl]phenol;hydrochloride
CID 6602835

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylanilino)phenol?
The IUPAC name of 3-(2,4,6-trimethylanilino)phenol (CID 127045202) is 3-(2,4,6-trimethylanilino)phenol.
What is the SMILES notation for 3-(2,4,6-trimethylanilino)phenol?
The canonical SMILES for 3-(2,4,6-trimethylanilino)phenol is Cc1cc(C)c(Nc2cccc(O)c2)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylanilino)phenol?
The InChIKey is SHLAKQCBWVWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-7-11(2)15(12(3)8-10)16-13-5-4-6-14(17)9-13/h4-9,16-17H,1-3H3.
What are the key properties of 3-(2,4,6-trimethylanilino)phenol?
3-(2,4,6-trimethylanilino)phenol 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 3-(2,4,6-trimethylanilino)phenol is sourced from PubChem (CID 127045202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).