2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol

C14H23NO4 — CID 107865381

IUPAC2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCCOc1ccc(OC)cc1
InChIInChI=1S/C14H23NO4/c1-3-14(10-16,11-17)15-8-9-19-13-6-4-12(18-2)5-7-13/h4-7,15-17H,3,8-11H2,1-2H3
InChIKeyZNARXJKSEOVODZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.80
Rot. Bonds9

About 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol

2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol (PubChem CID 107865381) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
PubChem CID107865381
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCCOc1ccc(OC)cc1
InChIInChI=1S/C14H23NO4/c1-3-14(10-16,11-17)15-8-9-19-13-6-4-12(18-2)5-7-13/h4-7,15-17H,3,8-11H2,1-2H3
InChIKeyZNARXJKSEOVODZ-UHFFFAOYSA-N
XLogP0.80
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-(hydroxymethyl)pentan-3-ylamino]ethoxy]benzoic acid
CID 103249066
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 103602252
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
CID 106176853
(4-methoxyphenoxy)methanol
CID 20580272
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 113357130
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride
CID 66938068
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol (CID 107865381) is 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol is CCC(CO)(CO)NCCOc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol?
The InChIKey is ZNARXJKSEOVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-14(10-16,11-17)15-8-9-19-13-6-4-12(18-2)5-7-13/h4-7,15-17H,3,8-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol?
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol has a molecular weight of 269.34 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol is sourced from PubChem (CID 107865381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).