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

C12H19NO2 — CID 82313394

IUPAC1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
SMILESCc1ccc(C(O)CNCCO)c(C)c1
InChIInChI=1S/C12H19NO2/c1-9-3-4-11(10(2)7-9)12(15)8-13-5-6-14/h3-4,7,12-15H,5-6,8H2,1-2H3
InChIKeyHABNAEGPPKWYMF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds5

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

1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol (PubChem CID 82313394) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
PubChem CID82313394
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
SMILESCc1ccc(C(O)CNCCO)c(C)c1
InChIInChI=1S/C12H19NO2/c1-9-3-4-11(10(2)7-9)12(15)8-13-5-6-14/h3-4,7,12-15H,5-6,8H2,1-2H3
InChIKeyHABNAEGPPKWYMF-UHFFFAOYSA-N
XLogP0.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
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-methoxyethylamino)ethanol
CID 62772788
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol
CID 82121211
1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
(1R)-2-(2-hydroxyethylamino)-1-(3-methyl-4-nitrophenyl)ethanol
CID 129392335
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol (CID 82313394) is 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol is Cc1ccc(C(O)CNCCO)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol?
The InChIKey is HABNAEGPPKWYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-3-4-11(10(2)7-9)12(15)8-13-5-6-14/h3-4,7,12-15H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol?
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol has a molecular weight of 209.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 82313394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).