2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol

C15H25NO2 — CID 66002283

IUPAC2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO2/c1-12-9-13(2)11-14(10-12)15(3,17)5-6-16-7-8-18-4/h9-11,16-17H,5-8H2,1-4H3
InChIKeyHXXOMYDXKAMTPY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.14
Rot. Bonds7

About 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol

2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 66002283) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID66002283
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO2/c1-12-9-13(2)11-14(10-12)15(3,17)5-6-16-7-8-18-4/h9-11,16-17H,5-8H2,1-4H3
InChIKeyHXXOMYDXKAMTPY-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol (CID 66002283) is 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is HXXOMYDXKAMTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-9-13(2)11-14(10-12)15(3,17)5-6-16-7-8-18-4/h9-11,16-17H,5-8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol?
2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 66002283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).