3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol

C19H25NO — CID 43741658

IUPAC3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
SMILESCCc1ccc(C(CC)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C19H25NO/c1-5-15-8-10-16(11-9-15)17(6-2)20-18-12-7-13(3)19(21)14(18)4/h7-12,17,20-21H,5-6H2,1-4H3
InChIKeyBQQBWJDWYQMMHS-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.13
Rot. Bonds5

About 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol

3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol (PubChem CID 43741658) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
PubChem CID43741658
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
SMILESCCc1ccc(C(CC)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C19H25NO/c1-5-15-8-10-16(11-9-15)17(6-2)20-18-12-7-13(3)19(21)14(18)4/h7-12,17,20-21H,5-6H2,1-4H3
InChIKeyBQQBWJDWYQMMHS-UHFFFAOYSA-N
XLogP5.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
CID 43741815
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol (CID 43741658) is 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol is CCc1ccc(C(CC)Nc2ccc(C)c(O)c2C)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol?
The InChIKey is BQQBWJDWYQMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-15-8-10-16(11-9-15)17(6-2)20-18-12-7-13(3)19(21)14(18)4/h7-12,17,20-21H,5-6H2,1-4H3.
What are the key properties of 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol?
3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol has a molecular weight of 283.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).