1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol

C16H27NO2 — CID 82315890

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-7-14(17-10(2)3)16(18)15-11(4)8-13(19-6)9-12(15)5/h8-10,14,16-18H,7H2,1-6H3
InChIKeyLLJOLDRETWHMPZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol

1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 82315890) 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-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID82315890
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-7-14(17-10(2)3)16(18)15-11(4)8-13(19-6)9-12(15)5/h8-10,14,16-18H,7H2,1-6H3
InChIKeyLLJOLDRETWHMPZ-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315884
2-(ethylamino)-1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82315899
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
CID 82315876
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
1-(2-methoxy-3,5-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315636
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315275
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol (CID 82315890) is 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol is CCC(NC(C)C)C(O)c1c(C)cc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is LLJOLDRETWHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-14(17-10(2)3)16(18)15-11(4)8-13(19-6)9-12(15)5/h8-10,14,16-18H,7H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol?
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.12, 6 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-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 82315890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).