(E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine

C12H18NO3P — CID 54756835

IUPAC(E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine
SMILESCOP(=O)(OC)N(C)C/C=C/c1ccccc1
InChIInChI=1S/C12H18NO3P/c1-13(17(14,15-2)16-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+
InChIKeyAOTFQYGKHMKDRQ-JXMROGBWSA-N
MW255.25 g/mol
LogP3.03
Rot. Bonds6

About (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine

(E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 54756835) has the molecular formula C12H18NO3P and a molecular weight of 255.25 g/mol. Its IUPAC name is (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID54756835
Molecular FormulaC12H18NO3P
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name(E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine
SMILESCOP(=O)(OC)N(C)C/C=C/c1ccccc1
InChIInChI=1S/C12H18NO3P/c1-13(17(14,15-2)16-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+
InChIKeyAOTFQYGKHMKDRQ-JXMROGBWSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine (CID 54756835) is (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine is COP(=O)(OC)N(C)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is AOTFQYGKHMKDRQ-JXMROGBWSA-N. The full InChI is InChI=1S/C12H18NO3P/c1-13(17(14,15-2)16-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+.
What are the key properties of (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine?
(E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 255.25 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-dimethoxyphosphoryl-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 54756835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).