O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine

C11H15N3O — CID 117293696

IUPACO-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cccc(N2C=NCC2)c1
InChIInChI=1S/C11H15N3O/c12-15-7-4-10-2-1-3-11(8-10)14-6-5-13-9-14/h1-3,8-9H,4-7,12H2
InChIKeyGIMXEYSECOBYPN-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds4

About O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine

O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117293696) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
PubChem CID117293696
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameO-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cccc(N2C=NCC2)c1
InChIInChI=1S/C11H15N3O/c12-15-7-4-10-2-1-3-11(8-10)14-6-5-13-9-14/h1-3,8-9H,4-7,12H2
InChIKeyGIMXEYSECOBYPN-UHFFFAOYSA-N
XLogP0.97
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290888
4-[3-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336301
2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine
CID 117291997
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 117307056
O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine
CID 117413751
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
CID 117331103
1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
CID 117315868
1-(2,6-dipropylphenyl)-4,5-dihydroimidazole
CID 151094163
3-(2-aminooxyethyl)phenol
CID 83479668
5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine
CID 117328747
2-[3-(4,5-dihydroimidazol-1-yl)phenyl]-2-oxoacetic acid
CID 117310592
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290887

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine (CID 117293696) is O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine is NOCCc1cccc(N2C=NCC2)c1.
What is the InChIKey of O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is GIMXEYSECOBYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-15-7-4-10-2-1-3-11(8-10)14-6-5-13-9-14/h1-3,8-9H,4-7,12H2.
What are the key properties of O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine?
O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117293696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).