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

C21H19NO2 — CID 24825489

IUPAC2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c23-21(24)14-16-8-12-20(13-9-16)22-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-13,22H,14-15H2,(H,23,24)
InChIKeyYHPFCGYBRIHRNU-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.59
Rot. Bonds6

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

2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid (PubChem CID 24825489) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid
PubChem CID24825489
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c23-21(24)14-16-8-12-20(13-9-16)22-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-13,22H,14-15H2,(H,23,24)
InChIKeyYHPFCGYBRIHRNU-UHFFFAOYSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.59
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]acetic acid?
The IUPAC name of 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid (CID 24825489) is 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid?
The InChIKey is YHPFCGYBRIHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(24)14-16-8-12-20(13-9-16)22-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-13,22H,14-15H2,(H,23,24).
What are the key properties of 2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid?
2-[4-[(4-phenylphenyl)methylamino]phenyl]acetic acid has a molecular weight of 317.39 g/mol, XLogP of 4.59, 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]acetic acid is sourced from PubChem (CID 24825489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).