3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid

C19H34NO4P — CID 10172546

IUPAC3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid
SMILESCCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1
InChIInChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
InChIKeyMMKMRZFTPGRQEQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.47
Rot. Bonds15

About 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid

3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid (PubChem CID 10172546) has the molecular formula C19H34NO4P and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid.

Molecular Properties

Compound Name3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid
PubChem CID10172546
Molecular FormulaC19H34NO4P
Molecular Weight371.46 g/mol
Exact Mass371.22
IUPAC Name3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid
SMILESCCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1
InChIInChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
InChIKeyMMKMRZFTPGRQEQ-UHFFFAOYSA-N
XLogP4.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid?
The IUPAC name of 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid (CID 10172546) is 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid.
What is the SMILES notation for 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid?
The canonical SMILES for 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid is CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1.
What is the InChIKey of 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid?
The InChIKey is MMKMRZFTPGRQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23).
What are the key properties of 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid?
3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid has a molecular weight of 371.46 g/mol, XLogP of 4.47, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nonoxyphenyl)methylamino]propylphosphonic acid is sourced from PubChem (CID 10172546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).