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

C15H23ClNO3P — CID 40511910

IUPAC(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCCOP(=O)(OCC)[C@H](/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-/t15-/m1/s1
InChIKeyWJVNYZBAAFGAGF-IKESIWSLSA-N
MW331.78 g/mol
LogP4.42
Rot. Bonds8

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

(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 40511910) has the molecular formula C15H23ClNO3P and a molecular weight of 331.78 g/mol. Its IUPAC name is (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID40511910
Molecular FormulaC15H23ClNO3P
Molecular Weight331.78 g/mol
Exact Mass331.11
IUPAC Name(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCCOP(=O)(OCC)[C@H](/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-/t15-/m1/s1
InChIKeyWJVNYZBAAFGAGF-IKESIWSLSA-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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Related Compounds

(Z)-3-(4-bromophenyl)-3-chloro-1-diethoxyphosphoryl-N,N-dimethylprop-2-en-1-amine
CID 12630698
3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 2780835
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
(2R,3S)-3-diethoxyphosphoryl-3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 11771778
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene
CID 11059605
N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide
CID 135009826
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671

Frequently Asked Questions

What is the IUPAC name of (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 40511910) is (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine is CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccccc1)N(C)C.
What is the InChIKey of (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is WJVNYZBAAFGAGF-IKESIWSLSA-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-/t15-/m1/s1.
What are the key properties of (Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(Z,1R)-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,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 40511910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).