3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol

C11H18N2O4 — CID 143578451

IUPAC3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
SMILESNc1cc(OCCCO)c(N)cc1OCCO
InChIInChI=1S/C11H18N2O4/c12-8-7-11(17-5-3-15)9(13)6-10(8)16-4-1-2-14/h6-7,14-15H,1-5,12-13H2
InChIKeyOBWNTOXEXISWHH-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds7

About 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol

3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol (PubChem CID 143578451) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
PubChem CID143578451
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
SMILESNc1cc(OCCCO)c(N)cc1OCCO
InChIInChI=1S/C11H18N2O4/c12-8-7-11(17-5-3-15)9(13)6-10(8)16-4-1-2-14/h6-7,14-15H,1-5,12-13H2
InChIKeyOBWNTOXEXISWHH-UHFFFAOYSA-N
XLogP-0.02
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol
CID 68604122
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
CID 157050422
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 70190975
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
10-[3,6,7,10,11-pentakis(10-hydroxydecoxy)triphenylen-2-yl]oxydecan-1-ol
CID 101376411

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol?
The IUPAC name of 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol (CID 143578451) is 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol?
The canonical SMILES for 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol is Nc1cc(OCCCO)c(N)cc1OCCO.
What is the InChIKey of 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol?
The InChIKey is OBWNTOXEXISWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-8-7-11(17-5-3-15)9(13)6-10(8)16-4-1-2-14/h6-7,14-15H,1-5,12-13H2.
What are the key properties of 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol?
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol has a molecular weight of 242.27 g/mol, XLogP of -0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol is sourced from PubChem (CID 143578451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).