2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol

C13H21NO3 — CID 112512368

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
SMILESCCNC(CO)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO3/c1-5-14-11(8-15)10-7-12(16-3)9(2)6-13(10)17-4/h6-7,11,14-15H,5,8H2,1-4H3
InChIKeyKFIPDRFRRAXCRD-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.66
Rot. Bonds6

About 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol

2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol (PubChem CID 112512368) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
PubChem CID112512368
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
SMILESCCNC(CO)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO3/c1-5-14-11(8-15)10-7-12(16-3)9(2)6-13(10)17-4/h6-7,11,14-15H,5,8H2,1-4H3
InChIKeyKFIPDRFRRAXCRD-UHFFFAOYSA-N
XLogP1.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
2-(2,3-dichloro-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 116859359
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
CID 116955433
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol (CID 112512368) is 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol is CCNC(CO)c1cc(OC)c(C)cc1OC.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol?
The InChIKey is KFIPDRFRRAXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-14-11(8-15)10-7-12(16-3)9(2)6-13(10)17-4/h6-7,11,14-15H,5,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol?
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 112512368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).