3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol

C15H25NO2 — CID 82315649

IUPAC3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)CNCCCO)c1C
InChIInChI=1S/C15H25NO2/c1-10-8-11(2)13(4)15(12(10)3)14(18)9-16-6-5-7-17/h8,14,16-18H,5-7,9H2,1-4H3
InChIKeyOIVNLXZRPUOLMZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.93
Rot. Bonds6

About 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol

3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol (PubChem CID 82315649) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
PubChem CID82315649
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)CNCCCO)c1C
InChIInChI=1S/C15H25NO2/c1-10-8-11(2)13(4)15(12(10)3)14(18)9-16-6-5-7-17/h8,14,16-18H,5-7,9H2,1-4H3
InChIKeyOIVNLXZRPUOLMZ-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.93
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

2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 112510879
3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
CID 82315821
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
2-(cyclopentylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82121821
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol
CID 116907780
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol (CID 82315649) is 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol is Cc1cc(C)c(C)c(C(O)CNCCCO)c1C.
What is the InChIKey of 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is OIVNLXZRPUOLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-8-11(2)13(4)15(12(10)3)14(18)9-16-6-5-7-17/h8,14,16-18H,5-7,9H2,1-4H3.
What are the key properties of 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol?
3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 82315649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).