2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol

C15H25NO2 — CID 60904141

IUPAC2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCOCCNCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)10-13-4-6-14(7-5-13)15(17)11-16-8-9-18-3/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyHECNUBFLPAIBGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.15
Rot. Bonds8

About 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 60904141) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID60904141
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCOCCNCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)10-13-4-6-14(7-5-13)15(17)11-16-8-9-18-3/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyHECNUBFLPAIBGO-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.15
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-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
2-[(1-methoxy-3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 65048916
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 113220606
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 60904141) is 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol is COCCNCC(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is HECNUBFLPAIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)10-13-4-6-14(7-5-13)15(17)11-16-8-9-18-3/h4-7,12,15-17H,8-11H2,1-3H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 60904141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).