1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol

C13H21NO2 — CID 62772788

IUPAC1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1ccc(C)cc1C
InChIInChI=1S/C13H21NO2/c1-10-4-5-12(11(2)8-10)13(15)9-14-6-7-16-3/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyQUWFYWPXYUORLY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol

1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 62772788) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID62772788
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1ccc(C)cc1C
InChIInChI=1S/C13H21NO2/c1-10-4-5-12(11(2)8-10)13(15)9-14-6-7-16-3/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyQUWFYWPXYUORLY-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 106818725
2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62583714
1-(4-bromo-3-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 66481306
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139642
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol (CID 62772788) is 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is QUWFYWPXYUORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-4-5-12(11(2)8-10)13(15)9-14-6-7-16-3/h4-5,8,13-15H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol?
1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 62772788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).