1-dimethoxyphosphoryl-2-phenylethanamine

C10H16NO3P — CID 12504647

IUPAC1-dimethoxyphosphoryl-2-phenylethanamine
SMILESCOP(=O)(OC)C(N)Cc1ccccc1
InChIInChI=1S/C10H16NO3P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKeyNECAPVKQUOAXSS-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.00
Rot. Bonds5

About 1-dimethoxyphosphoryl-2-phenylethanamine

1-dimethoxyphosphoryl-2-phenylethanamine (PubChem CID 12504647) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-phenylethanamine.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2-phenylethanamine
PubChem CID12504647
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Name1-dimethoxyphosphoryl-2-phenylethanamine
SMILESCOP(=O)(OC)C(N)Cc1ccccc1
InChIInChI=1S/C10H16NO3P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKeyNECAPVKQUOAXSS-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
CID 134929442
[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
CID 14030878
(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
CID 11347186
(1-amino-2-phenylethyl)-phenoxyphosphinic acid
CID 46886351
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2-phenylethanamine?
The IUPAC name of 1-dimethoxyphosphoryl-2-phenylethanamine (CID 12504647) is 1-dimethoxyphosphoryl-2-phenylethanamine.
What is the SMILES notation for 1-dimethoxyphosphoryl-2-phenylethanamine?
The canonical SMILES for 1-dimethoxyphosphoryl-2-phenylethanamine is COP(=O)(OC)C(N)Cc1ccccc1.
What is the InChIKey of 1-dimethoxyphosphoryl-2-phenylethanamine?
The InChIKey is NECAPVKQUOAXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-2-phenylethanamine?
1-dimethoxyphosphoryl-2-phenylethanamine has a molecular weight of 229.22 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2-phenylethanamine is sourced from PubChem (CID 12504647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).