2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol

C12H16N4O2 — CID 22245315

IUPAC2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol
SMILESNc1ccc(OCCO)c(NCc2ncc[nH]2)c1
InChIInChI=1S/C12H16N4O2/c13-9-1-2-11(18-6-5-17)10(7-9)16-8-12-14-3-4-15-12/h1-4,7,16-17H,5-6,8,13H2,(H,14,15)
InChIKeyYTIRIRHOZCSZAR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.98
Rot. Bonds6

About 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol

2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol (PubChem CID 22245315) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol
PubChem CID22245315
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol
SMILESNc1ccc(OCCO)c(NCc2ncc[nH]2)c1
InChIInChI=1S/C12H16N4O2/c13-9-1-2-11(18-6-5-17)10(7-9)16-8-12-14-3-4-15-12/h1-4,7,16-17H,5-6,8,13H2,(H,14,15)
InChIKeyYTIRIRHOZCSZAR-UHFFFAOYSA-N
XLogP0.98
TPSA96.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
CID 22026541
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-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol;hydrochloride
CID 22026554
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-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
5-amino-2-(1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 103287114
4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
CID 64548272
3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
2-(7-aminoquinolin-4-yl)oxyethanol
CID 103002211
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol?
The IUPAC name of 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol (CID 22245315) is 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol.
What is the SMILES notation for 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol?
The canonical SMILES for 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol is Nc1ccc(OCCO)c(NCc2ncc[nH]2)c1.
What is the InChIKey of 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol?
The InChIKey is YTIRIRHOZCSZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-9-1-2-11(18-6-5-17)10(7-9)16-8-12-14-3-4-15-12/h1-4,7,16-17H,5-6,8,13H2,(H,14,15).
What are the key properties of 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol?
2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol has a molecular weight of 248.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol is sourced from PubChem (CID 22245315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).