(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine

C16H18N2O2 — CID 60893000

IUPAC(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCCc1ccccn1
InChIInChI=1S/C16H18N2O2/c1-2-15(18-19)14-8-3-4-9-16(14)20-12-10-13-7-5-6-11-17-13/h3-9,11,19H,2,10,12H2,1H3/b18-15+
InChIKeyOIEDAEPCQXTPOL-OBGWFSINSA-N
MW270.33 g/mol
LogP3.29
Rot. Bonds6

About (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine

(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 60893000) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
PubChem CID60893000
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCCc1ccccn1
InChIInChI=1S/C16H18N2O2/c1-2-15(18-19)14-8-3-4-9-16(14)20-12-10-13-7-5-6-11-17-13/h3-9,11,19H,2,10,12H2,1H3/b18-15+
InChIKeyOIEDAEPCQXTPOL-OBGWFSINSA-N
XLogP3.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
CID 43185548
(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
CID 54935980
(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
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-2,2-dimethylpentanenitrile
CID 77063014
3-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 114904269
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine (CID 60893000) is (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine is CC/C(=N\O)c1ccccc1OCCc1ccccn1.
What is the InChIKey of (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is OIEDAEPCQXTPOL-OBGWFSINSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-15(18-19)14-8-3-4-9-16(14)20-12-10-13-7-5-6-11-17-13/h3-9,11,19H,2,10,12H2,1H3/b18-15+.
What are the key properties of (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 270.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 60893000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).