[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid

C11H18NO2P — CID 143297095

IUPAC[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid
SMILESCCN(C)Cc1ccc(P(C)(=O)O)cc1
InChIInChI=1S/C11H18NO2P/c1-4-12(2)9-10-5-7-11(8-6-10)15(3,13)14/h5-8H,4,9H2,1-3H3,(H,13,14)
InChIKeyNKWRJOSPFYGFDP-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.66
Rot. Bonds4

About [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid

[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid (PubChem CID 143297095) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid.

Molecular Properties

Compound Name[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid
PubChem CID143297095
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid
SMILESCCN(C)Cc1ccc(P(C)(=O)O)cc1
InChIInChI=1S/C11H18NO2P/c1-4-12(2)9-10-5-7-11(8-6-10)15(3,13)14/h5-8H,4,9H2,1-3H3,(H,13,14)
InChIKeyNKWRJOSPFYGFDP-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
CID 22889878
bicyclo[2.2.0]hexa-1,3,5-triene;4-[[ethyl(methyl)amino]methyl]benzoic acid;hydrochloride
CID 70353921
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
(4-bromophenyl)-methylphosphinic acid
CID 129135167
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837
benzene-1,2-diol;N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 174445596
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
bis(4-ethylphenyl)phosphinic acid
CID 23160701
methyl(phenyl)phosphinic acid;zinc
CID 66618039

Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid?
The IUPAC name of [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid (CID 143297095) is [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid.
What is the SMILES notation for [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid?
The canonical SMILES for [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid is CCN(C)Cc1ccc(P(C)(=O)O)cc1.
What is the InChIKey of [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid?
The InChIKey is NKWRJOSPFYGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-4-12(2)9-10-5-7-11(8-6-10)15(3,13)14/h5-8H,4,9H2,1-3H3,(H,13,14).
What are the key properties of [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid?
[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid has a molecular weight of 227.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid is sourced from PubChem (CID 143297095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).