2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol

C14H24N2O6 — CID 163651325

IUPAC2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
SMILESNc1cc(OCCOCCO)c(OCCOCCO)cc1N
InChIInChI=1S/C14H24N2O6/c15-11-9-13(21-7-5-19-3-1-17)14(10-12(11)16)22-8-6-20-4-2-18/h9-10,17-18H,1-8,15-16H2
InChIKeyIMMSHKBTJXROFU-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.37
Rot. Bonds12

About 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol

2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol (PubChem CID 163651325) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
PubChem CID163651325
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
SMILESNc1cc(OCCOCCO)c(OCCOCCO)cc1N
InChIInChI=1S/C14H24N2O6/c15-11-9-13(21-7-5-19-3-1-17)14(10-12(11)16)22-8-6-20-4-2-18/h9-10,17-18H,1-8,15-16H2
InChIKeyIMMSHKBTJXROFU-UHFFFAOYSA-N
XLogP-0.37
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
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CID 143578451
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CID 101102266
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CID 61069192
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
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CID 63268776
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 53338792
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol (CID 163651325) is 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol is Nc1cc(OCCOCCO)c(OCCOCCO)cc1N.
What is the InChIKey of 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol?
The InChIKey is IMMSHKBTJXROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c15-11-9-13(21-7-5-19-3-1-17)14(10-12(11)16)22-8-6-20-4-2-18/h9-10,17-18H,1-8,15-16H2.
What are the key properties of 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol?
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol has a molecular weight of 316.35 g/mol, XLogP of -0.37, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 163651325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).