2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol

C19H25NO — CID 43741861

IUPAC2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
SMILESCc1cc(C)c(C(C)Nc2ccc(C)c(O)c2C)c(C)c1
InChIInChI=1S/C19H25NO/c1-11-9-13(3)18(14(4)10-11)16(6)20-17-8-7-12(2)19(21)15(17)5/h7-10,16,20-21H,1-6H3
InChIKeyJRFZIPYDUZMDMG-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.11
Rot. Bonds3

About 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol

2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol (PubChem CID 43741861) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
PubChem CID43741861
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
SMILESCc1cc(C)c(C(C)Nc2ccc(C)c(O)c2C)c(C)c1
InChIInChI=1S/C19H25NO/c1-11-9-13(3)18(14(4)10-11)16(6)20-17-8-7-12(2)19(21)15(17)5/h7-10,16,20-21H,1-6H3
InChIKeyJRFZIPYDUZMDMG-UHFFFAOYSA-N
XLogP5.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
CID 43741815
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428
3-(dicyclopropylmethylamino)-2,6-dimethylphenol
CID 43741846
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyridin-3-amine
CID 79041619
2,3,5-trimethylphenol;2,3,6-trimethylphenol
CID 70540570

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol?
The IUPAC name of 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol (CID 43741861) is 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol is Cc1cc(C)c(C(C)Nc2ccc(C)c(O)c2C)c(C)c1.
What is the InChIKey of 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol?
The InChIKey is JRFZIPYDUZMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-11-9-13(3)18(14(4)10-11)16(6)20-17-8-7-12(2)19(21)15(17)5/h7-10,16,20-21H,1-6H3.
What are the key properties of 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol?
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol has a molecular weight of 283.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol is sourced from PubChem (CID 43741861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).