4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol

C17H21NO2 — CID 61050381

IUPAC4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
SMILESCc1cccc(NC(CO)c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-11-5-4-6-15(7-11)18-16(10-19)14-8-12(2)17(20)13(3)9-14/h4-9,16,18-20H,10H2,1-3H3
InChIKeyZJAHZQWHVRFJAU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.46
Rot. Bonds4

About 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol

4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol (PubChem CID 61050381) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
PubChem CID61050381
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
SMILESCc1cccc(NC(CO)c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-11-5-4-6-15(7-11)18-16(10-19)14-8-12(2)17(20)13(3)9-14/h4-9,16,18-20H,10H2,1-3H3
InChIKeyZJAHZQWHVRFJAU-UHFFFAOYSA-N
XLogP3.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
CID 55067115
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-methylanilino)octan-1-ol
CID 61049186

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol (CID 61050381) is 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol is Cc1cccc(NC(CO)c2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol?
The InChIKey is ZJAHZQWHVRFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-5-4-6-15(7-11)18-16(10-19)14-8-12(2)17(20)13(3)9-14/h4-9,16,18-20H,10H2,1-3H3.
What are the key properties of 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol?
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol is sourced from PubChem (CID 61050381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).