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

C15H25NO2 — CID 82315867

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)NC(C)C)c(C)c1
InChIInChI=1S/C15H25NO2/c1-9(2)16-12(5)15(17)14-10(3)7-13(18-6)8-11(14)4/h7-9,12,15-17H,1-6H3
InChIKeyLBLFRDNRPRDPDQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds5

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

1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 82315867) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID82315867
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)NC(C)C)c(C)c1
InChIInChI=1S/C15H25NO2/c1-9(2)16-12(5)15(17)14-10(3)7-13(18-6)8-11(14)4/h7-9,12,15-17H,1-6H3
InChIKeyLBLFRDNRPRDPDQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315890
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
CID 82315876
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
2-(ethylamino)-1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82315899
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315884

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol (CID 82315867) is 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol is COc1cc(C)c(C(O)C(C)NC(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is LBLFRDNRPRDPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-9(2)16-12(5)15(17)14-10(3)7-13(18-6)8-11(14)4/h7-9,12,15-17H,1-6H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol?
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.73, 5 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)propan-1-ol is sourced from PubChem (CID 82315867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).