(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine

C15H19N3O2 — CID 114528141

IUPAC(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccccc1OCCc1nccn1C
InChIInChI=1S/C15H19N3O2/c1-3-13(17-19)12-6-4-5-7-14(12)20-11-8-15-16-9-10-18(15)2/h4-7,9-10,19H,3,8,11H2,1-2H3/b17-13-
InChIKeyFYJKTTXUTRNIPR-LGMDPLHJSA-N
MW273.34 g/mol
LogP2.63
Rot. Bonds6

About (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine (PubChem CID 114528141) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
PubChem CID114528141
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccccc1OCCc1nccn1C
InChIInChI=1S/C15H19N3O2/c1-3-13(17-19)12-6-4-5-7-14(12)20-11-8-15-16-9-10-18(15)2/h4-7,9-10,19H,3,8,11H2,1-2H3/b17-13-
InChIKeyFYJKTTXUTRNIPR-LGMDPLHJSA-N
XLogP2.63
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
CID 54935980
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
CID 43185548
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
N-[1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propylidene]hydroxylamine
CID 76905202
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine (CID 114528141) is (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccccc1OCCc1nccn1C.
What is the InChIKey of (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is FYJKTTXUTRNIPR-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-13(17-19)12-6-4-5-7-14(12)20-11-8-15-16-9-10-18(15)2/h4-7,9-10,19H,3,8,11H2,1-2H3/b17-13-.
What are the key properties of (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 273.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 114528141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).