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

C18H23NO — CID 43741839

IUPAC3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(C(C)Nc2ccc(C)c(O)c2C)c(C)c1
InChIInChI=1S/C18H23NO/c1-11-6-8-16(13(3)10-11)15(5)19-17-9-7-12(2)18(20)14(17)4/h6-10,15,19-20H,1-5H3
InChIKeyICCBDCHFSBBIEZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.80
Rot. Bonds3

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

3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol (PubChem CID 43741839) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
PubChem CID43741839
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(C(C)Nc2ccc(C)c(O)c2C)c(C)c1
InChIInChI=1S/C18H23NO/c1-11-6-8-16(13(3)10-11)15(5)19-17-9-7-12(2)18(20)14(17)4/h6-10,15,19-20H,1-5H3
InChIKeyICCBDCHFSBBIEZ-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol (CID 43741839) is 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol is Cc1ccc(C(C)Nc2ccc(C)c(O)c2C)c(C)c1.
What is the InChIKey of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol?
The InChIKey is ICCBDCHFSBBIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-11-6-8-16(13(3)10-11)15(5)19-17-9-7-12(2)18(20)14(17)4/h6-10,15,19-20H,1-5H3.
What are the key properties of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol?
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol has a molecular weight of 269.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).