2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol

C16H28N2O3 — CID 61048021

IUPAC2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
SMILESCCN(CC)CCNC(CO)c1ccc(OC)cc1OC
InChIInChI=1S/C16H28N2O3/c1-5-18(6-2)10-9-17-15(12-19)14-8-7-13(20-3)11-16(14)21-4/h7-8,11,15,17,19H,5-6,9-10,12H2,1-4H3
InChIKeyZDZSNZCUERKWNU-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.67
Rot. Bonds10

About 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol

2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol (PubChem CID 61048021) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
PubChem CID61048021
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
SMILESCCN(CC)CCNC(CO)c1ccc(OC)cc1OC
InChIInChI=1S/C16H28N2O3/c1-5-18(6-2)10-9-17-15(12-19)14-8-7-13(20-3)11-16(14)21-4/h7-8,11,15,17,19H,5-6,9-10,12H2,1-4H3
InChIKeyZDZSNZCUERKWNU-UHFFFAOYSA-N
XLogP1.67
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244236
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
2-anilino-2-(2,4-dimethoxyphenyl)ethanol
CID 61047149
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-N-ethylethanamine
CID 82000221
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol (CID 61048021) is 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol is CCN(CC)CCNC(CO)c1ccc(OC)cc1OC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is ZDZSNZCUERKWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-18(6-2)10-9-17-15(12-19)14-8-7-13(20-3)11-16(14)21-4/h7-8,11,15,17,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol?
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 296.41 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 61048021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).