1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine

C16H16ClNO2 — CID 91415193

IUPAC1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine
SMILESCOC=C(NOCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-19-12-16(14-7-9-15(17)10-8-14)18-20-11-13-5-3-2-4-6-13/h2-10,12,18H,11H2,1H3
InChIKeyGJSMAHYMAFGYSJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine

1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine (PubChem CID 91415193) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine
PubChem CID91415193
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine
SMILESCOC=C(NOCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-19-12-16(14-7-9-15(17)10-8-14)18-20-11-13-5-3-2-4-6-13/h2-10,12,18H,11H2,1H3
InChIKeyGJSMAHYMAFGYSJ-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
The IUPAC name of 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine (CID 91415193) is 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine is COC=C(NOCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
The InChIKey is GJSMAHYMAFGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-19-12-16(14-7-9-15(17)10-8-14)18-20-11-13-5-3-2-4-6-13/h2-10,12,18H,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine has a molecular weight of 289.76 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methoxy-N-phenylmethoxyethenamine is sourced from PubChem (CID 91415193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).