2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid

C23H21NO2 — CID 24825485

IUPAC2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO2/c25-23(26)22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,21-22,24H,14-15H2,(H,25,26)
InChIKeyAYQLRMNZMKEEKX-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.15
Rot. Bonds6

About 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid

2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 24825485) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID24825485
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO2/c25-23(26)22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,21-22,24H,14-15H2,(H,25,26)
InChIKeyAYQLRMNZMKEEKX-UHFFFAOYSA-N
XLogP5.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
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]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid (CID 24825485) is 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is AYQLRMNZMKEEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-23(26)22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,21-22,24H,14-15H2,(H,25,26).
What are the key properties of 2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 343.43 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 24825485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).