5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol

C18H31NO2 — CID 106160005

IUPAC5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
SMILESCC(C)Cc1ccc(C(O)CNCCCC(C)CO)cc1
InChIInChI=1S/C18H31NO2/c1-14(2)11-16-6-8-17(9-7-16)18(21)12-19-10-4-5-15(3)13-20/h6-9,14-15,18-21H,4-5,10-13H2,1-3H3
InChIKeyPKFGIMKNLOXQOU-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.92
Rot. Bonds10

About 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol

5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol (PubChem CID 106160005) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
PubChem CID106160005
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
SMILESCC(C)Cc1ccc(C(O)CNCCCC(C)CO)cc1
InChIInChI=1S/C18H31NO2/c1-14(2)11-16-6-8-17(9-7-16)18(21)12-19-10-4-5-15(3)13-20/h6-9,14-15,18-21H,4-5,10-13H2,1-3H3
InChIKeyPKFGIMKNLOXQOU-UHFFFAOYSA-N
XLogP2.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.92
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]pentan-2-ol
CID 106130457
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
(2S)-2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 79250497
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol (CID 106160005) is 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol is CC(C)Cc1ccc(C(O)CNCCCC(C)CO)cc1.
What is the InChIKey of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol?
The InChIKey is PKFGIMKNLOXQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)11-16-6-8-17(9-7-16)18(21)12-19-10-4-5-15(3)13-20/h6-9,14-15,18-21H,4-5,10-13H2,1-3H3.
What are the key properties of 5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol?
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 2.92, 10 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]-2-methylpentan-1-ol is sourced from PubChem (CID 106160005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).