[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid

C11H18NO2P — CID 174098970

IUPAC[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid
SMILESCCP(O)OC[C@@H](C)c1ccccc1N
InChIInChI=1S/C11H18NO2P/c1-3-15(13)14-8-9(2)10-6-4-5-7-11(10)12/h4-7,9,13H,3,8,12H2,1-2H3/t9-,15?/m1/s1
InChIKeyBQIBPBDIXMVFGB-WXMRUQJCSA-N
MW227.24 g/mol
LogP2.71
Rot. Bonds5

About [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid

[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid (PubChem CID 174098970) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid.

Molecular Properties

Compound Name[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid
PubChem CID174098970
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid
SMILESCCP(O)OC[C@@H](C)c1ccccc1N
InChIInChI=1S/C11H18NO2P/c1-3-15(13)14-8-9(2)10-6-4-5-7-11(10)12/h4-7,9,13H,3,8,12H2,1-2H3/t9-,15?/m1/s1
InChIKeyBQIBPBDIXMVFGB-WXMRUQJCSA-N
XLogP2.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
2-(4-ethyl-5-methylhex-5-en-2-yl)aniline
CID 154959850
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
2-(1-trimethylsilylethyl)aniline
CID 11052509

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid?
The IUPAC name of [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid (CID 174098970) is [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid.
What is the SMILES notation for [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid?
The canonical SMILES for [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid is CCP(O)OC[C@@H](C)c1ccccc1N.
What is the InChIKey of [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid?
The InChIKey is BQIBPBDIXMVFGB-WXMRUQJCSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-3-15(13)14-8-9(2)10-6-4-5-7-11(10)12/h4-7,9,13H,3,8,12H2,1-2H3/t9-,15?/m1/s1.
What are the key properties of [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid?
[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid has a molecular weight of 227.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid is sourced from PubChem (CID 174098970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).