1-(methylamino)ethyl-phenylphosphinic acid

C9H14NO2P — CID 12596027

IUPAC1-(methylamino)ethyl-phenylphosphinic acid
SMILESCNC(C)P(=O)(O)c1ccccc1
InChIInChI=1S/C9H14NO2P/c1-8(10-2)13(11,12)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,11,12)
InChIKeyBMCRMUNFJVPSRA-UHFFFAOYSA-N
MW199.19 g/mol
LogP1.15
Rot. Bonds3

About 1-(methylamino)ethyl-phenylphosphinic acid

1-(methylamino)ethyl-phenylphosphinic acid (PubChem CID 12596027) has the molecular formula C9H14NO2P and a molecular weight of 199.19 g/mol. Its IUPAC name is 1-(methylamino)ethyl-phenylphosphinic acid.

Molecular Properties

Compound Name1-(methylamino)ethyl-phenylphosphinic acid
PubChem CID12596027
Molecular FormulaC9H14NO2P
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name1-(methylamino)ethyl-phenylphosphinic acid
SMILESCNC(C)P(=O)(O)c1ccccc1
InChIInChI=1S/C9H14NO2P/c1-8(10-2)13(11,12)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,11,12)
InChIKeyBMCRMUNFJVPSRA-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 69037711
2-methylpropyl(phenyl)phosphinic acid
CID 793404
[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
CID 22873479
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid
CID 101246303
2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
phenylphosphonic acid;phosphane
CID 157219344
diphenylphosphinic acid chloride
CID 53401992
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
1-(tritylamino)ethylphosphonic acid
CID 150279074

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethyl-phenylphosphinic acid?
The IUPAC name of 1-(methylamino)ethyl-phenylphosphinic acid (CID 12596027) is 1-(methylamino)ethyl-phenylphosphinic acid.
What is the SMILES notation for 1-(methylamino)ethyl-phenylphosphinic acid?
The canonical SMILES for 1-(methylamino)ethyl-phenylphosphinic acid is CNC(C)P(=O)(O)c1ccccc1.
What is the InChIKey of 1-(methylamino)ethyl-phenylphosphinic acid?
The InChIKey is BMCRMUNFJVPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO2P/c1-8(10-2)13(11,12)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,11,12).
What are the key properties of 1-(methylamino)ethyl-phenylphosphinic acid?
1-(methylamino)ethyl-phenylphosphinic acid has a molecular weight of 199.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethyl-phenylphosphinic acid is sourced from PubChem (CID 12596027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).