N-[ethoxy(1-phenylethenyl)phosphoryl]aniline

C16H18NO2P — CID 118202181

IUPACN-[ethoxy(1-phenylethenyl)phosphoryl]aniline
SMILESC=C(c1ccccc1)P(=O)(Nc1ccccc1)OCC
InChIInChI=1S/C16H18NO2P/c1-3-19-20(18,17-16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3,(H,17,18)
InChIKeyXXPAQPQOSCYFMH-UHFFFAOYSA-N
MW287.30 g/mol
LogP5.00
Rot. Bonds6

About N-[ethoxy(1-phenylethenyl)phosphoryl]aniline

N-[ethoxy(1-phenylethenyl)phosphoryl]aniline (PubChem CID 118202181) has the molecular formula C16H18NO2P and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[ethoxy(1-phenylethenyl)phosphoryl]aniline.

Molecular Properties

Compound NameN-[ethoxy(1-phenylethenyl)phosphoryl]aniline
PubChem CID118202181
Molecular FormulaC16H18NO2P
Molecular Weight287.30 g/mol
Exact Mass287.11
IUPAC NameN-[ethoxy(1-phenylethenyl)phosphoryl]aniline
SMILESC=C(c1ccccc1)P(=O)(Nc1ccccc1)OCC
InChIInChI=1S/C16H18NO2P/c1-3-19-20(18,17-16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3,(H,17,18)
InChIKeyXXPAQPQOSCYFMH-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(1-phenylethenyl)phosphoryl]aniline?
The IUPAC name of N-[ethoxy(1-phenylethenyl)phosphoryl]aniline (CID 118202181) is N-[ethoxy(1-phenylethenyl)phosphoryl]aniline.
What is the SMILES notation for N-[ethoxy(1-phenylethenyl)phosphoryl]aniline?
The canonical SMILES for N-[ethoxy(1-phenylethenyl)phosphoryl]aniline is C=C(c1ccccc1)P(=O)(Nc1ccccc1)OCC.
What is the InChIKey of N-[ethoxy(1-phenylethenyl)phosphoryl]aniline?
The InChIKey is XXPAQPQOSCYFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2P/c1-3-19-20(18,17-16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3,(H,17,18).
What are the key properties of N-[ethoxy(1-phenylethenyl)phosphoryl]aniline?
N-[ethoxy(1-phenylethenyl)phosphoryl]aniline has a molecular weight of 287.30 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(1-phenylethenyl)phosphoryl]aniline is sourced from PubChem (CID 118202181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).