(4-methoxyphenyl)phosphonic acid;phenylmethanamine

C14H18NO4P — CID 44889970

IUPAC(4-methoxyphenyl)phosphonic acid;phenylmethanamine
SMILESCOc1ccc(P(=O)(O)O)cc1.NCc1ccccc1
InChIInChI=1S/C7H9N.C7H9O4P/c8-6-7-4-2-1-3-5-7;1-11-6-2-4-7(5-3-6)12(8,9)10/h1-5H,6,8H2;2-5H,1H3,(H2,8,9,10)
InChIKeyJPKWKNPLGAHVRD-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.64
Rot. Bonds3

About (4-methoxyphenyl)phosphonic acid;phenylmethanamine

(4-methoxyphenyl)phosphonic acid;phenylmethanamine (PubChem CID 44889970) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is (4-methoxyphenyl)phosphonic acid;phenylmethanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)phosphonic acid;phenylmethanamine
PubChem CID44889970
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name(4-methoxyphenyl)phosphonic acid;phenylmethanamine
SMILESCOc1ccc(P(=O)(O)O)cc1.NCc1ccccc1
InChIInChI=1S/C7H9N.C7H9O4P/c8-6-7-4-2-1-3-5-7;1-11-6-2-4-7(5-3-6)12(8,9)10/h1-5H,6,8H2;2-5H,1H3,(H2,8,9,10)
InChIKeyJPKWKNPLGAHVRD-UHFFFAOYSA-N
XLogP1.64
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)phosphonic acid;phenylmethanamine?
The IUPAC name of (4-methoxyphenyl)phosphonic acid;phenylmethanamine (CID 44889970) is (4-methoxyphenyl)phosphonic acid;phenylmethanamine.
What is the SMILES notation for (4-methoxyphenyl)phosphonic acid;phenylmethanamine?
The canonical SMILES for (4-methoxyphenyl)phosphonic acid;phenylmethanamine is COc1ccc(P(=O)(O)O)cc1.NCc1ccccc1.
What is the InChIKey of (4-methoxyphenyl)phosphonic acid;phenylmethanamine?
The InChIKey is JPKWKNPLGAHVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C7H9O4P/c8-6-7-4-2-1-3-5-7;1-11-6-2-4-7(5-3-6)12(8,9)10/h1-5H,6,8H2;2-5H,1H3,(H2,8,9,10).
What are the key properties of (4-methoxyphenyl)phosphonic acid;phenylmethanamine?
(4-methoxyphenyl)phosphonic acid;phenylmethanamine has a molecular weight of 295.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)phosphonic acid;phenylmethanamine is sourced from PubChem (CID 44889970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).