2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol

C17H24N2O6 — CID 157050422

IUPAC2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
SMILESCc1c(O)cccc1O.Nc1cc(N)c(OCCO)cc1OCCO
InChIInChI=1S/C10H16N2O4.C7H8O2/c11-7-5-8(12)10(16-4-2-14)6-9(7)15-3-1-13;1-5-6(8)3-2-4-7(5)9/h5-6,13-14H,1-4,11-12H2;2-4,8-9H,1H3
InChIKeyAADDDQLQXTVVQJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.00
Rot. Bonds6

About 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol

2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol (PubChem CID 157050422) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
PubChem CID157050422
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
SMILESCc1c(O)cccc1O.Nc1cc(N)c(OCCO)cc1OCCO
InChIInChI=1S/C10H16N2O4.C7H8O2/c11-7-5-8(12)10(16-4-2-14)6-9(7)15-3-1-13;1-5-6(8)3-2-4-7(5)9/h5-6,13-14H,1-4,11-12H2;2-4,8-9H,1H3
InChIKeyAADDDQLQXTVVQJ-UHFFFAOYSA-N
XLogP1.00
TPSA151.42 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 51.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;2-methylbenzene-1,3-diol
CID 70265789
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
CID 143578451
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 146405993
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
CID 91322801
3-amino-2-methylphenol;hydrate
CID 175262808
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
2-methylbenzene-1,3-diol
CID 139200813
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol?
The IUPAC name of 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol (CID 157050422) is 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol.
What is the SMILES notation for 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol?
The canonical SMILES for 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol is Cc1c(O)cccc1O.Nc1cc(N)c(OCCO)cc1OCCO.
What is the InChIKey of 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol?
The InChIKey is AADDDQLQXTVVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.C7H8O2/c11-7-5-8(12)10(16-4-2-14)6-9(7)15-3-1-13;1-5-6(8)3-2-4-7(5)9/h5-6,13-14H,1-4,11-12H2;2-4,8-9H,1H3.
What are the key properties of 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol?
2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol has a molecular weight of 352.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol is sourced from PubChem (CID 157050422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).