5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol

C17H29NO2 — CID 106130457

IUPAC5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
SMILESCC(C)Cc1ccc(C(O)CNCCCC(C)O)cc1
InChIInChI=1S/C17H29NO2/c1-13(2)11-15-6-8-16(9-7-15)17(20)12-18-10-4-5-14(3)19/h6-9,13-14,17-20H,4-5,10-12H2,1-3H3
InChIKeyGJOYDFCUGLRLAM-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.67
Rot. Bonds9

About 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol

5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol (PubChem CID 106130457) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
PubChem CID106130457
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
SMILESCC(C)Cc1ccc(C(O)CNCCCC(C)O)cc1
InChIInChI=1S/C17H29NO2/c1-13(2)11-15-6-8-16(9-7-15)17(20)12-18-10-4-5-14(3)19/h6-9,13-14,17-20H,4-5,10-12H2,1-3H3
InChIKeyGJOYDFCUGLRLAM-UHFFFAOYSA-N
XLogP2.67
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.67
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

5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
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-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol?
The IUPAC name of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol (CID 106130457) is 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol is CC(C)Cc1ccc(C(O)CNCCCC(C)O)cc1.
What is the InChIKey of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol?
The InChIKey is GJOYDFCUGLRLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)11-15-6-8-16(9-7-15)17(20)12-18-10-4-5-14(3)19/h6-9,13-14,17-20H,4-5,10-12H2,1-3H3.
What are the key properties of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol?
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol is sourced from PubChem (CID 106130457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).