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

C17H21NO3 — CID 43741825

IUPAC3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCOc1cc(C(C)Nc2ccc(C)c(O)c2C)ccc1O
InChIInChI=1S/C17H21NO3/c1-10-5-7-14(11(2)17(10)20)18-12(3)13-6-8-15(19)16(9-13)21-4/h5-9,12,18-20H,1-4H3
InChIKeyAVAJDRXAIYMXKI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.90
Rot. Bonds4

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

3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol (PubChem CID 43741825) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
PubChem CID43741825
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCOc1cc(C(C)Nc2ccc(C)c(O)c2C)ccc1O
InChIInChI=1S/C17H21NO3/c1-10-5-7-14(11(2)17(10)20)18-12(3)13-6-8-15(19)16(9-13)21-4/h5-9,12,18-20H,1-4H3
InChIKeyAVAJDRXAIYMXKI-UHFFFAOYSA-N
XLogP3.90
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol (CID 43741825) is 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol is COc1cc(C(C)Nc2ccc(C)c(O)c2C)ccc1O.
What is the InChIKey of 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
The InChIKey is AVAJDRXAIYMXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-5-7-14(11(2)17(10)20)18-12(3)13-6-8-15(19)16(9-13)21-4/h5-9,12,18-20H,1-4H3.
What are the key properties of 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol has a molecular weight of 287.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).