3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol

C16H19NO2 — CID 43741819

IUPAC3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(NC(C)c2ccc(O)cc2)c(C)c1O
InChIInChI=1S/C16H19NO2/c1-10-4-9-15(11(2)16(10)19)17-12(3)13-5-7-14(18)8-6-13/h4-9,12,17-19H,1-3H3
InChIKeyICRONHLEZLUWLJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.89
Rot. Bonds3

About 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol

3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol (PubChem CID 43741819) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
PubChem CID43741819
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(NC(C)c2ccc(O)cc2)c(C)c1O
InChIInChI=1S/C16H19NO2/c1-10-4-9-15(11(2)16(10)19)17-12(3)13-5-7-14(18)8-6-13/h4-9,12,17-19H,1-3H3
InChIKeyICRONHLEZLUWLJ-UHFFFAOYSA-N
XLogP3.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
CID 43741815
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
4-[1-(2-methyl-4-nitroanilino)ethyl]phenol
CID 43719950
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
CID 43741658
3-(dicyclopropylmethylamino)-2,6-dimethylphenol
CID 43741846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol (CID 43741819) is 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol is Cc1ccc(NC(C)c2ccc(O)cc2)c(C)c1O.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
The InChIKey is ICRONHLEZLUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-4-9-15(11(2)16(10)19)17-12(3)13-5-7-14(18)8-6-13/h4-9,12,17-19H,1-3H3.
What are the key properties of 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol?
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol has a molecular weight of 257.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).