1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol

C16H27NO3 — CID 82315910

IUPAC1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
SMILESCCC(C)c1ccc(C(O)CNCCOCCO)cc1
InChIInChI=1S/C16H27NO3/c1-3-13(2)14-4-6-15(7-5-14)16(19)12-17-8-10-20-11-9-18/h4-7,13,16-19H,3,8-12H2,1-2H3
InChIKeyIEAQFNJVMQELIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.83
Rot. Bonds10

About 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol

1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol (PubChem CID 82315910) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
PubChem CID82315910
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
SMILESCCC(C)c1ccc(C(O)CNCCOCCO)cc1
InChIInChI=1S/C16H27NO3/c1-3-13(2)14-4-6-15(7-5-14)16(19)12-17-8-10-20-11-9-18/h4-7,13,16-19H,3,8-12H2,1-2H3
InChIKeyIEAQFNJVMQELIN-UHFFFAOYSA-N
XLogP1.83
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 4852521
4-[1-hydroxy-2-[2-(2-methylpropoxy)ethylamino]ethyl]benzonitrile
CID 115701768
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
CID 66107039
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312624

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol (CID 82315910) is 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol is CCC(C)c1ccc(C(O)CNCCOCCO)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
The InChIKey is IEAQFNJVMQELIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-13(2)14-4-6-15(7-5-14)16(19)12-17-8-10-20-11-9-18/h4-7,13,16-19H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 1.83, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol is sourced from PubChem (CID 82315910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).