1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine

C14H24NO3P — CID 134929442

IUPAC1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
SMILESCCN(CC)C(Cc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24NO3P/c1-5-15(6-2)14(19(16,17-3)18-4)12-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyVYGYHUXYUXIPHY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.38
Rot. Bonds8

About 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine

1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine (PubChem CID 134929442) has the molecular formula C14H24NO3P and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
PubChem CID134929442
Molecular FormulaC14H24NO3P
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC Name1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
SMILESCCN(CC)C(Cc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24NO3P/c1-5-15(6-2)14(19(16,17-3)18-4)12-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyVYGYHUXYUXIPHY-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.38
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

1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
CID 14030878
(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
CID 11347186
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
CID 145053921
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
phosphono (2S)-2-[ethyl(methoxy)amino]-3-phenylpropanoate
CID 54098175
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
2-(dimethylamino)-3-phenylpropanal
CID 19361863

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine?
The IUPAC name of 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine (CID 134929442) is 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine.
What is the SMILES notation for 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine?
The canonical SMILES for 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine is CCN(CC)C(Cc1ccccc1)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine?
The InChIKey is VYGYHUXYUXIPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO3P/c1-5-15(6-2)14(19(16,17-3)18-4)12-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine?
1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine has a molecular weight of 285.32 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine is sourced from PubChem (CID 134929442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).