N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine

C18H19NO2 — CID 19018212

IUPACN-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine
SMILESCCOC(C#Cc1ccccc1)c1ccc(CNO)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-18(13-10-15-6-4-3-5-7-15)17-11-8-16(9-12-17)14-19-20/h3-9,11-12,18-20H,2,14H2,1H3
InChIKeyKNBSEIZJHMHZEP-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.29
Rot. Bonds5

About N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine

N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine (PubChem CID 19018212) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine
PubChem CID19018212
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC NameN-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine
SMILESCCOC(C#Cc1ccccc1)c1ccc(CNO)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-18(13-10-15-6-4-3-5-7-15)17-11-8-16(9-12-17)14-19-20/h3-9,11-12,18-20H,2,14H2,1H3
InChIKeyKNBSEIZJHMHZEP-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine (CID 19018212) is N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine is CCOC(C#Cc1ccccc1)c1ccc(CNO)cc1.
What is the InChIKey of N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine?
The InChIKey is KNBSEIZJHMHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-21-18(13-10-15-6-4-3-5-7-15)17-11-8-16(9-12-17)14-19-20/h3-9,11-12,18-20H,2,14H2,1H3.
What are the key properties of N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine?
N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine has a molecular weight of 281.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-ethoxy-3-phenylprop-2-ynyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 19018212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).