1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol

C15H25NO2 — CID 117382207

IUPAC1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-10-7-11(13(17)9-16-5)8-12(14(10)18-6)15(2,3)4/h7-8,13,16-17H,9H2,1-6H3
InChIKeyOILSHTJDWASTCU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol

1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol (PubChem CID 117382207) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
PubChem CID117382207
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-10-7-11(13(17)9-16-5)8-12(14(10)18-6)15(2,3)4/h7-8,13,16-17H,9H2,1-6H3
InChIKeyOILSHTJDWASTCU-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(1R)-1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]-2-methoxy-3-methylphenyl]propan-2-ol;molecular hydrogen
CID 157345646
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
CID 117343656
5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethoxybenzaldehyde
CID 117350636
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
methyl 5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethylbenzoate
CID 117347120
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
CID 70234299
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol (CID 117382207) is 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(C)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is OILSHTJDWASTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-7-11(13(17)9-16-5)8-12(14(10)18-6)15(2,3)4/h7-8,13,16-17H,9H2,1-6H3.
What are the key properties of 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol?
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117382207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).