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

C14H23NO2 — CID 82315829

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCOc1cc(C)c(C(O)CNC(C)C)c(C)c1
InChIInChI=1S/C14H23NO2/c1-9(2)15-8-13(16)14-10(3)6-12(17-5)7-11(14)4/h6-7,9,13,15-16H,8H2,1-5H3
InChIKeyBPAJYSQPXXEJHF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds5

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

1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 82315829) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID82315829
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCOc1cc(C)c(C(O)CNC(C)C)c(C)c1
InChIInChI=1S/C14H23NO2/c1-9(2)15-8-13(16)14-10(3)6-12(17-5)7-11(14)4/h6-7,9,13,15-16H,8H2,1-5H3
InChIKeyBPAJYSQPXXEJHF-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
CID 82315854
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
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)propan-1-ol
CID 82315867
2-(ethylamino)-1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82315899
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315890
1-(4-methoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82216996
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol (CID 82315829) is 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol is COc1cc(C)c(C(O)CNC(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is BPAJYSQPXXEJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)15-8-13(16)14-10(3)6-12(17-5)7-11(14)4/h6-7,9,13,15-16H,8H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 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)ethanol is sourced from PubChem (CID 82315829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).