2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol

C11H18N2O3 — CID 57176639

IUPAC2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
SMILESCOCCOc1ccc(N)cc1NCCO
InChIInChI=1S/C11H18N2O3/c1-15-6-7-16-11-3-2-9(12)8-10(11)13-4-5-14/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeyVOIGDSZXUMQYBJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.70
Rot. Bonds7

About 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol

2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol (PubChem CID 57176639) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol.

Molecular Properties

Compound Name2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
PubChem CID57176639
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
SMILESCOCCOc1ccc(N)cc1NCCO
InChIInChI=1S/C11H18N2O3/c1-15-6-7-16-11-3-2-9(12)8-10(11)13-4-5-14/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeyVOIGDSZXUMQYBJ-UHFFFAOYSA-N
XLogP0.70
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
CID 22026519
2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026523
N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide
CID 22026500
2-(5-fluoro-2-propoxyanilino)ethanol
CID 167924183
2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol
CID 22245315
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026518
3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
CID 69381115
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
CID 22026541
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol?
The IUPAC name of 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol (CID 57176639) is 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol.
What is the SMILES notation for 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol?
The canonical SMILES for 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol is COCCOc1ccc(N)cc1NCCO.
What is the InChIKey of 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol?
The InChIKey is VOIGDSZXUMQYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-6-7-16-11-3-2-9(12)8-10(11)13-4-5-14/h2-3,8,13-14H,4-7,12H2,1H3.
What are the key properties of 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol?
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol is sourced from PubChem (CID 57176639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).