2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol

C16H28N2O3 — CID 60896421

IUPAC2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCCN(CC)CCNCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H28N2O3/c1-5-18(6-2)10-9-17-12-15(19)14-11-13(20-3)7-8-16(14)21-4/h7-8,11,15,17,19H,5-6,9-10,12H2,1-4H3
InChIKeyRYARUXVBHHOHRB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.67
Rot. Bonds10

About 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol

2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 60896421) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID60896421
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCCN(CC)CCNCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H28N2O3/c1-5-18(6-2)10-9-17-12-15(19)14-11-13(20-3)7-8-16(14)21-4/h7-8,11,15,17,19H,5-6,9-10,12H2,1-4H3
InChIKeyRYARUXVBHHOHRB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
CID 106211873
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
CID 78871605
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine
CID 75420917
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol (CID 60896421) is 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol is CCN(CC)CCNCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is RYARUXVBHHOHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-18(6-2)10-9-17-12-15(19)14-11-13(20-3)7-8-16(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]-1-(2,5-dimethoxyphenyl)ethanol?
2-[2-(diethylamino)ethylamino]-1-(2,5-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]-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 60896421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).