1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol

C14H23NO3 — CID 117386619

IUPAC1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(OC)cc1C(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)10-6-13(17-4)14(18-5)7-11(10)12(16)8-15-3/h6-7,9,12,15-16H,8H2,1-5H3
InChIKeyGVVFLPCYUPRKNE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.08
Rot. Bonds6

About 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol

1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol (PubChem CID 117386619) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
PubChem CID117386619
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(OC)cc1C(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)10-6-13(17-4)14(18-5)7-11(10)12(16)8-15-3/h6-7,9,12,15-16H,8H2,1-5H3
InChIKeyGVVFLPCYUPRKNE-UHFFFAOYSA-N
XLogP2.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 112514037
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
CID 117381815

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol (CID 117386619) is 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c(OC)cc1C(C)C.
What is the InChIKey of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
The InChIKey is GVVFLPCYUPRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)10-6-13(17-4)14(18-5)7-11(10)12(16)8-15-3/h6-7,9,12,15-16H,8H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol has a molecular weight of 253.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117386619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).