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

C19H25NO — CID 43741815

IUPAC2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
SMILESCCCc1ccc(C(C)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C19H25NO/c1-5-6-16-8-10-17(11-9-16)15(4)20-18-12-7-13(2)19(21)14(18)3/h7-12,15,20-21H,5-6H2,1-4H3
InChIKeyNEOXHDIVHIKIOS-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.13
Rot. Bonds5

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

2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol (PubChem CID 43741815) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
PubChem CID43741815
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
SMILESCCCc1ccc(C(C)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C19H25NO/c1-5-6-16-8-10-17(11-9-16)15(4)20-18-12-7-13(2)19(21)14(18)3/h7-12,15,20-21H,5-6H2,1-4H3
InChIKeyNEOXHDIVHIKIOS-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

3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
CID 43741658
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 104726147
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43096586
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
5-bromo-2-[1-(4-propylphenyl)ethylamino]benzonitrile
CID 82693493
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol?
The IUPAC name of 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol (CID 43741815) is 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol is CCCc1ccc(C(C)Nc2ccc(C)c(O)c2C)cc1.
What is the InChIKey of 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol?
The InChIKey is NEOXHDIVHIKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-6-16-8-10-17(11-9-16)15(4)20-18-12-7-13(2)19(21)14(18)3/h7-12,15,20-21H,5-6H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol?
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol 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 2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol is sourced from PubChem (CID 43741815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).