4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol

C17H21NO3 — CID 106953620

IUPAC4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
SMILESCOc1cc(C(C)Nc2cc(C)c(O)cc2C)ccc1O
InChIInChI=1S/C17H21NO3/c1-10-8-16(20)11(2)7-14(10)18-12(3)13-5-6-15(19)17(9-13)21-4/h5-9,12,18-20H,1-4H3
InChIKeyZXBXWFUJOAZOHD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.90
Rot. Bonds4

About 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol

4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol (PubChem CID 106953620) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
PubChem CID106953620
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
SMILESCOc1cc(C(C)Nc2cc(C)c(O)cc2C)ccc1O
InChIInChI=1S/C17H21NO3/c1-10-8-16(20)11(2)7-14(10)18-12(3)13-5-6-15(19)17(9-13)21-4/h5-9,12,18-20H,1-4H3
InChIKeyZXBXWFUJOAZOHD-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

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol (CID 106953620) is 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol is COc1cc(C(C)Nc2cc(C)c(O)cc2C)ccc1O.
What is the InChIKey of 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol?
The InChIKey is ZXBXWFUJOAZOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-8-16(20)11(2)7-14(10)18-12(3)13-5-6-15(19)17(9-13)21-4/h5-9,12,18-20H,1-4H3.
What are the key properties of 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol?
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-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 4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106953620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).