(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine

C13H20NO2P — CID 102144029

IUPAC(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine
SMILESCCOP(=O)(/C=C/CN(C)C)c1ccccc1
InChIInChI=1S/C13H20NO2P/c1-4-16-17(15,12-8-11-14(2)3)13-9-6-5-7-10-13/h5-10,12H,4,11H2,1-3H3/b12-8+
InChIKeyZBPXBFQFGLSMIE-XYOKQWHBSA-N
MW253.28 g/mol
LogP2.70
Rot. Bonds6

About (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine

(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine (PubChem CID 102144029) has the molecular formula C13H20NO2P and a molecular weight of 253.28 g/mol. Its IUPAC name is (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine
PubChem CID102144029
Molecular FormulaC13H20NO2P
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine
SMILESCCOP(=O)(/C=C/CN(C)C)c1ccccc1
InChIInChI=1S/C13H20NO2P/c1-4-16-17(15,12-8-11-14(2)3)13-9-6-5-7-10-13/h5-10,12H,4,11H2,1-3H3/b12-8+
InChIKeyZBPXBFQFGLSMIE-XYOKQWHBSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571
N-butyl-N-[(E)-3-diphenylphosphorylprop-2-enyl]butan-1-amine
CID 10970672
N-[(E)-5,5-bis(diethoxyphosphoryl)pent-2-enyl]-N-methylaniline
CID 101272794
dipropoxyphosphorylbenzene
CID 11736632
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957

Frequently Asked Questions

What is the IUPAC name of (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine (CID 102144029) is (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine is CCOP(=O)(/C=C/CN(C)C)c1ccccc1.
What is the InChIKey of (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine?
The InChIKey is ZBPXBFQFGLSMIE-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H20NO2P/c1-4-16-17(15,12-8-11-14(2)3)13-9-6-5-7-10-13/h5-10,12H,4,11H2,1-3H3/b12-8+.
What are the key properties of (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine?
(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine has a molecular weight of 253.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 102144029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).