1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol

C16H27NO2 — CID 82315854

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
SMILESCOc1cc(C)c(C(O)CNCCC(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)6-7-17-10-15(18)16-12(3)8-14(19-5)9-13(16)4/h8-9,11,15,17-18H,6-7,10H2,1-5H3
InChIKeyQRELTJTZGHTHRI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.98
Rot. Bonds7

About 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol

1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol (PubChem CID 82315854) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
PubChem CID82315854
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
SMILESCOc1cc(C)c(C(O)CNCCC(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)6-7-17-10-15(18)16-12(3)8-14(19-5)9-13(16)4/h8-9,11,15,17-18H,6-7,10H2,1-5H3
InChIKeyQRELTJTZGHTHRI-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.98
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

3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
CID 82315821
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 112510879
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 112510446
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
CID 61100809
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol (CID 82315854) is 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol is COc1cc(C)c(C(O)CNCCC(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol?
The InChIKey is QRELTJTZGHTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)6-7-17-10-15(18)16-12(3)8-14(19-5)9-13(16)4/h8-9,11,15,17-18H,6-7,10H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol?
1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol is sourced from PubChem (CID 82315854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).