methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid

C20H36NO2P — CID 10286857

IUPACmethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
SMILESCCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1
InChIInChI=1S/C20H36NO2P/c1-3-4-5-6-7-8-9-11-19-12-14-20(15-13-19)18-21-16-10-17-24(2,22)23/h12-15,21H,3-11,16-18H2,1-2H3,(H,22,23)
InChIKeyGYRSLHWASFQOPP-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.36
Rot. Bonds14

About methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid

methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid (PubChem CID 10286857) has the molecular formula C20H36NO2P and a molecular weight of 353.49 g/mol. Its IUPAC name is methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
PubChem CID10286857
Molecular FormulaC20H36NO2P
Molecular Weight353.49 g/mol
Exact Mass353.25
IUPAC Namemethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
SMILESCCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1
InChIInChI=1S/C20H36NO2P/c1-3-4-5-6-7-8-9-11-19-12-14-20(15-13-19)18-21-16-10-17-24(2,22)23/h12-15,21H,3-11,16-18H2,1-2H3,(H,22,23)
InChIKeyGYRSLHWASFQOPP-UHFFFAOYSA-N
XLogP5.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Nonylbenzyl)pyrrolidin-3-ylphosphonic acid
CID 10287034
3-[(4-nonylphenyl)methylamino]propylphosphonic Acid
CID 11725751
Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
CID 447336
[3-(4-Octyl-benzylamino)-propyl]-phosphonic acid
CID 10149985
{3-[(4''-Hexyl-biphenyl-4-ylmethyl)-amino]-propyl}-phosphonic acid
CID 10287365
[3-(10-Phenyl-decylamino)-propyl]-phosphonic acid
CID 44344390
{2-[5-(4-Nonyl-phenyl)-pyrrolidin-2-yl]-ethyl}-phosphonic acid
CID 44394191
[(1S,3S)-3-(4-Nonyl-benzylamino)-cyclohexyl]-phosphonic acid
CID 44394273
Alpha-benzylaminobenzylphosphonic acid
CID 4469578
[3-amino-5-(4-octylphenyl)pentyl]phosphonic Acid
CID 10172338
{3-[2-(4-Octyl-phenyl)-ethylamino]-propyl}-phosphonic acid
CID 44344413
[1-Amino-2-(benzylamino)ethyl]phosphonic acid
CID 13509139

Frequently Asked Questions

What is the IUPAC name of methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
The IUPAC name of methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid (CID 10286857) is methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid.
What is the SMILES notation for methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
The canonical SMILES for methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid is CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1.
What is the InChIKey of methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
The InChIKey is GYRSLHWASFQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36NO2P/c1-3-4-5-6-7-8-9-11-19-12-14-20(15-13-19)18-21-16-10-17-24(2,22)23/h12-15,21H,3-11,16-18H2,1-2H3,(H,22,23).
What are the key properties of methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid has a molecular weight of 353.49 g/mol, XLogP of 5.36, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid is sourced from PubChem (CID 10286857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).