(Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine

C15H23ClNO3P — CID 5375362

IUPAC(Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCCOP(=O)(OCC)C(/C=C(\Cl)c1ccccc1)N(C)C
InChIInChI=1S/C15H23ClNO3P/c1-5-19-21(18,20-6-2)15(17(3)4)12-14(16)13-10-8-7-9-11-13/h7-12,15H,5-6H2,1-4H3/b14-12-
InChIKeyWJVNYZBAAFGAGF-OWBHPGMISA-N
MW331.78 g/mol
LogP4.42
Rot. Bonds8

About (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine

(Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 5375362) has the molecular formula C15H23ClNO3P and a molecular weight of 331.78 g/mol. Its IUPAC name is (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID5375362
Molecular FormulaC15H23ClNO3P
Molecular Weight331.78 g/mol
Exact Mass331.11
IUPAC Name(Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCCOP(=O)(OCC)C(/C=C(\Cl)c1ccccc1)N(C)C
InChIInChI=1S/C15H23ClNO3P/c1-5-19-21(18,20-6-2)15(17(3)4)12-14(16)13-10-8-7-9-11-13/h7-12,15H,5-6H2,1-4H3/b14-12-
InChIKeyWJVNYZBAAFGAGF-OWBHPGMISA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 5375362) is (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine is CCOP(=O)(OCC)C(/C=C(\Cl)c1ccccc1)N(C)C.
What is the InChIKey of (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is WJVNYZBAAFGAGF-OWBHPGMISA-N. The full InChI is InChI=1S/C15H23ClNO3P/c1-5-19-21(18,20-6-2)15(17(3)4)12-14(16)13-10-8-7-9-11-13/h7-12,15H,5-6H2,1-4H3/b14-12-.
What are the key properties of (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 331.78 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 5375362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).