2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid

C22H21NO2 — CID 24825488

IUPAC2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-16(22(24)25)18-11-13-21(14-12-18)23-15-17-7-9-20(10-8-17)19-5-3-2-4-6-19/h2-14,16,23H,15H2,1H3,(H,24,25)
InChIKeyXYKVAQZEXQPNRN-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.15
Rot. Bonds6

About 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid

2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid (PubChem CID 24825488) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid
PubChem CID24825488
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-16(22(24)25)18-11-13-21(14-12-18)23-15-17-7-9-20(10-8-17)19-5-3-2-4-6-19/h2-14,16,23H,15H2,1H3,(H,24,25)
InChIKeyXYKVAQZEXQPNRN-UHFFFAOYSA-N
XLogP5.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid (CID 24825488) is 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid is CC(C(=O)O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid?
The InChIKey is XYKVAQZEXQPNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(22(24)25)18-11-13-21(14-12-18)23-15-17-7-9-20(10-8-17)19-5-3-2-4-6-19/h2-14,16,23H,15H2,1H3,(H,24,25).
What are the key properties of 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid?
2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid has a molecular weight of 331.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphenyl)methylamino]phenyl]propanoic acid is sourced from PubChem (CID 24825488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).