2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol

C15H25NO4 — CID 82216742

IUPAC2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
SMILESCCOc1ccc(C)cc1C(O)CN(CCO)CCO
InChIInChI=1S/C15H25NO4/c1-3-20-15-5-4-12(2)10-13(15)14(19)11-16(6-8-17)7-9-18/h4-5,10,14,17-19H,3,6-9,11H2,1-2H3
InChIKeyIGNCGEMHXMNTCV-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.71
Rot. Bonds9

About 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol

2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol (PubChem CID 82216742) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
PubChem CID82216742
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
SMILESCCOc1ccc(C)cc1C(O)CN(CCO)CCO
InChIInChI=1S/C15H25NO4/c1-3-20-15-5-4-12(2)10-13(15)14(19)11-16(6-8-17)7-9-18/h4-5,10,14,17-19H,3,6-9,11H2,1-2H3
InChIKeyIGNCGEMHXMNTCV-UHFFFAOYSA-N
XLogP0.71
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284
3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 82073989
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297696
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol
CID 82073673
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
CID 82347110
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
N-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]-N-ethylbutan-1-amine
CID 82215395
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol (CID 82216742) is 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol is CCOc1ccc(C)cc1C(O)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol?
The InChIKey is IGNCGEMHXMNTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-20-15-5-4-12(2)10-13(15)14(19)11-16(6-8-17)7-9-18/h4-5,10,14,17-19H,3,6-9,11H2,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol?
2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol has a molecular weight of 283.37 g/mol, XLogP of 0.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 82216742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).