2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol

C10H16N2O4 — CID 70190975

IUPAC2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol
SMILESNc1cc(OCCO)cc(OCCO)c1N
InChIInChI=1S/C10H16N2O4/c11-8-5-7(15-3-1-13)6-9(10(8)12)16-4-2-14/h5-6,13-14H,1-4,11-12H2
InChIKeyKULPEKKSDLBAJX-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.41
Rot. Bonds6

About 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol

2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol (PubChem CID 70190975) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol
PubChem CID70190975
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol
SMILESNc1cc(OCCO)cc(OCCO)c1N
InChIInChI=1S/C10H16N2O4/c11-8-5-7(15-3-1-13)6-9(10(8)12)16-4-2-14/h5-6,13-14H,1-4,11-12H2
InChIKeyKULPEKKSDLBAJX-UHFFFAOYSA-N
XLogP-0.41
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tributoxyaniline
CID 130240432
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
CID 143578451
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-(2-amino-3,5-difluorophenoxy)ethanol
CID 115507300
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
2-(3,5-dibromophenoxy)ethanol
CID 125479638
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 54038432
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol?
The IUPAC name of 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol (CID 70190975) is 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol?
The canonical SMILES for 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol is Nc1cc(OCCO)cc(OCCO)c1N.
What is the InChIKey of 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol?
The InChIKey is KULPEKKSDLBAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c11-8-5-7(15-3-1-13)6-9(10(8)12)16-4-2-14/h5-6,13-14H,1-4,11-12H2.
What are the key properties of 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol?
2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol has a molecular weight of 228.25 g/mol, XLogP of -0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol is sourced from PubChem (CID 70190975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).