2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid

C10H16NO3P — CID 177244473

IUPAC2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
SMILESNCCc1ccc(CCP(=O)(O)O)cc1
InChIInChI=1S/C10H16NO3P/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h1-4H,5-8,11H2,(H2,12,13,14)
InChIKeyMBPRLWSMAFAASP-UHFFFAOYSA-N
MW229.22 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid

2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid (PubChem CID 177244473) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
PubChem CID177244473
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Name2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
SMILESNCCc1ccc(CCP(=O)(O)O)cc1
InChIInChI=1S/C10H16NO3P/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h1-4H,5-8,11H2,(H2,12,13,14)
InChIKeyMBPRLWSMAFAASP-UHFFFAOYSA-N
XLogP0.91
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-(2-aminoethyl)phenol phosphate
CID 6366959
(2S)-2-amino-3-[4-(2-phosphonoethyl)phenyl]propanoic acid
CID 54162396
2-[4-[1,2-dinitroso-2-[4-(2-phosphonoethyl)phenyl]ethyl]phenyl]ethylphosphonic acid
CID 91196798
2-(3,5-diaminophenyl)ethylphosphonic acid
CID 166514259
2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423
3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
CID 6602756
4-(4-bromophenyl)butylphosphonic acid
CID 22708582
dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid
CID 87815910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid?
The IUPAC name of 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid (CID 177244473) is 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid?
The canonical SMILES for 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid is NCCc1ccc(CCP(=O)(O)O)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid?
The InChIKey is MBPRLWSMAFAASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h1-4H,5-8,11H2,(H2,12,13,14).
What are the key properties of 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid?
2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid has a molecular weight of 229.22 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid is sourced from PubChem (CID 177244473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).