3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid

C23H23NO2 — CID 18376215

IUPAC3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(CNCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO2/c25-23(26)14-11-18-5-4-6-20(15-18)17-24-16-19-9-12-22(13-10-19)21-7-2-1-3-8-21/h1-10,12-13,15,24H,11,14,16-17H2,(H,25,26)
InChIKeyQCHHXXITICSVKL-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.66
Rot. Bonds8

About 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid

3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid (PubChem CID 18376215) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid
PubChem CID18376215
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(CNCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO2/c25-23(26)14-11-18-5-4-6-20(15-18)17-24-16-19-9-12-22(13-10-19)21-7-2-1-3-8-21/h1-10,12-13,15,24H,11,14,16-17H2,(H,25,26)
InChIKeyQCHHXXITICSVKL-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid (CID 18376215) is 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid is O=C(O)CCc1cccc(CNCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid?
The InChIKey is QCHHXXITICSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26)14-11-18-5-4-6-20(15-18)17-24-16-19-9-12-22(13-10-19)21-7-2-1-3-8-21/h1-10,12-13,15,24H,11,14,16-17H2,(H,25,26).
What are the key properties of 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid?
3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid has a molecular weight of 345.44 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(4-phenylphenyl)methylamino]methyl]phenyl]propanoic acid is sourced from PubChem (CID 18376215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).