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

C17H21NO2 — CID 43741848

IUPAC3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCOc1ccc(C(C)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C17H21NO2/c1-11-5-10-16(12(2)17(11)19)18-13(3)14-6-8-15(20-4)9-7-14/h5-10,13,18-19H,1-4H3
InChIKeyYNMHQXOSNQGPLX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.19
Rot. Bonds4

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

3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol (PubChem CID 43741848) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
PubChem CID43741848
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
SMILESCOc1ccc(C(C)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C17H21NO2/c1-11-5-10-16(12(2)17(11)19)18-13(3)14-6-8-15(20-4)9-7-14/h5-10,13,18-19H,1-4H3
InChIKeyYNMHQXOSNQGPLX-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
CID 43741815
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 66197182
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
3-methoxy-2,4-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43739008
4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 62868006
2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile
CID 107927606

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol (CID 43741848) is 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol is COc1ccc(C(C)Nc2ccc(C)c(O)c2C)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
The InChIKey is YNMHQXOSNQGPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-5-10-16(12(2)17(11)19)18-13(3)14-6-8-15(20-4)9-7-14/h5-10,13,18-19H,1-4H3.
What are the key properties of 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol?
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol has a molecular weight of 271.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).