(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid

C9H14NO3P — CID 67480322

IUPAC(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
SMILESCOc1cc(CP(C)(=O)O)ccc1N
InChIInChI=1S/C9H14NO3P/c1-13-9-5-7(3-4-8(9)10)6-14(2,11)12/h3-5H,6,10H2,1-2H3,(H,11,12)
InChIKeyNXIFVIDOIQOCSV-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.68
Rot. Bonds3

About (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid

(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid (PubChem CID 67480322) has the molecular formula C9H14NO3P and a molecular weight of 215.19 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
PubChem CID67480322
Molecular FormulaC9H14NO3P
Molecular Weight215.19 g/mol
Exact Mass215.07
IUPAC Name(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
SMILESCOc1cc(CP(C)(=O)O)ccc1N
InChIInChI=1S/C9H14NO3P/c1-13-9-5-7(3-4-8(9)10)6-14(2,11)12/h3-5H,6,10H2,1-2H3,(H,11,12)
InChIKeyNXIFVIDOIQOCSV-UHFFFAOYSA-N
XLogP1.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.68
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-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
CID 67256217
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
CID 22753068
(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
CID 20634483
4-hexyl-2-methoxyaniline
CID 70551686
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
CID 90251753
CID 90251753
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid?
The IUPAC name of (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid (CID 67480322) is (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid.
What is the SMILES notation for (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid?
The canonical SMILES for (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid is COc1cc(CP(C)(=O)O)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid?
The InChIKey is NXIFVIDOIQOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3P/c1-13-9-5-7(3-4-8(9)10)6-14(2,11)12/h3-5H,6,10H2,1-2H3,(H,11,12).
What are the key properties of (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid?
(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid has a molecular weight of 215.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)methyl-methylphosphinic acid is sourced from PubChem (CID 67480322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).