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

C21H38NO3P — CID 59691756

IUPAC1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
SMILESCCCCCCCCCc1ccc(CNCCCP(=O)(O)C(C)O)cc1
InChIInChI=1S/C21H38NO3P/c1-3-4-5-6-7-8-9-11-20-12-14-21(15-13-20)18-22-16-10-17-26(24,25)19(2)23/h12-15,19,22-23H,3-11,16-18H2,1-2H3,(H,24,25)
InChIKeyUYIWAWKPNIXCIB-UHFFFAOYSA-N
MW383.51 g/mol
LogP5.07
Rot. Bonds15

About 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid

1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid (PubChem CID 59691756) has the molecular formula C21H38NO3P and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid.

Molecular Properties

Compound Name1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
PubChem CID59691756
Molecular FormulaC21H38NO3P
Molecular Weight383.51 g/mol
Exact Mass383.26
IUPAC Name1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
SMILESCCCCCCCCCc1ccc(CNCCCP(=O)(O)C(C)O)cc1
InChIInChI=1S/C21H38NO3P/c1-3-4-5-6-7-8-9-11-20-12-14-21(15-13-20)18-22-16-10-17-26(24,25)19(2)23/h12-15,19,22-23H,3-11,16-18H2,1-2H3,(H,24,25)
InChIKeyUYIWAWKPNIXCIB-UHFFFAOYSA-N
XLogP5.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.07
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'}

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Related Compounds

formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol
CID 142267298
[2-hydroxy-3-[(4-nonylphenyl)methylamino]propyl]phosphonic acid
CID 59691795
formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
CID 142267456
formaldehyde;N-[(4-heptylphenyl)methyl]butan-1-amine;methanol
CID 142267281
[[(4-dodecylphenyl)methylamino]-phosphonomethyl]phosphonic acid
CID 21278710
5-[(4-nonylphenyl)methylamino]pentane-2,3-diol
CID 70951462
ethane;formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propane
CID 142267356
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
3-[(4-hexylphenyl)methylamino]propanoyl-trihydroxyphosphanium
CID 123781472
methanediol;4-[(4-undecylphenyl)methylamino]butanal
CID 142267639
3-[[4-(octoxymethyl)phenyl]methylamino]propylphosphonic acid
CID 10287092
3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid
CID 10172513

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
The IUPAC name of 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid (CID 59691756) is 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid.
What is the SMILES notation for 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
The canonical SMILES for 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid is CCCCCCCCCc1ccc(CNCCCP(=O)(O)C(C)O)cc1.
What is the InChIKey of 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
The InChIKey is UYIWAWKPNIXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38NO3P/c1-3-4-5-6-7-8-9-11-20-12-14-21(15-13-20)18-22-16-10-17-26(24,25)19(2)23/h12-15,19,22-23H,3-11,16-18H2,1-2H3,(H,24,25).
What are the key properties of 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid?
1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid has a molecular weight of 383.51 g/mol, XLogP of 5.07, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid is sourced from PubChem (CID 59691756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).