3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine

C13H19ClNO3P — CID 2780835

IUPAC3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCOP(=O)(OC)C(C=C(Cl)c1ccccc1)N(C)C
InChIInChI=1S/C13H19ClNO3P/c1-15(2)13(19(16,17-3)18-4)10-12(14)11-8-6-5-7-9-11/h5-10,13H,1-4H3
InChIKeyBYTZWWDLTWSOGT-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.64
Rot. Bonds6

About 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine

3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 2780835) has the molecular formula C13H19ClNO3P and a molecular weight of 303.73 g/mol. Its IUPAC name is 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID2780835
Molecular FormulaC13H19ClNO3P
Molecular Weight303.73 g/mol
Exact Mass303.08
IUPAC Name3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCOP(=O)(OC)C(C=C(Cl)c1ccccc1)N(C)C
InChIInChI=1S/C13H19ClNO3P/c1-15(2)13(19(16,17-3)18-4)10-12(14)11-8-6-5-7-9-11/h5-10,13H,1-4H3
InChIKeyBYTZWWDLTWSOGT-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 40511910
(Z)-3-(4-bromophenyl)-3-chloro-1-diethoxyphosphoryl-N,N-dimethylprop-2-en-1-amine
CID 12630698
(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol
CID 6023894
(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
CID 7018978
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099
[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 166442123
(2S)-2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 125471761
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
CID 6307479

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 2780835) is 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine is COP(=O)(OC)C(C=C(Cl)c1ccccc1)N(C)C.
What is the InChIKey of 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is BYTZWWDLTWSOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClNO3P/c1-15(2)13(19(16,17-3)18-4)10-12(14)11-8-6-5-7-9-11/h5-10,13H,1-4H3.
What are the key properties of 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine?
3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 303.73 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 2780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).