4-[(2-phenoxyphenyl)methylamino]benzoic acid

C20H17NO3 — CID 71055366

IUPAC4-[(2-phenoxyphenyl)methylamino]benzoic acid
SMILESO=C(O)c1ccc(NCc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO3/c22-20(23)15-10-12-17(13-11-15)21-14-16-6-4-5-9-19(16)24-18-7-2-1-3-8-18/h1-13,21H,14H2,(H,22,23)
InChIKeyDYQLZLRSDKEGIJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.79
Rot. Bonds6

About 4-[(2-phenoxyphenyl)methylamino]benzoic acid

4-[(2-phenoxyphenyl)methylamino]benzoic acid (PubChem CID 71055366) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(2-phenoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-phenoxyphenyl)methylamino]benzoic acid
PubChem CID71055366
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-[(2-phenoxyphenyl)methylamino]benzoic acid
SMILESO=C(O)c1ccc(NCc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO3/c22-20(23)15-10-12-17(13-11-15)21-14-16-6-4-5-9-19(16)24-18-7-2-1-3-8-18/h1-13,21H,14H2,(H,22,23)
InChIKeyDYQLZLRSDKEGIJ-UHFFFAOYSA-N
XLogP4.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
CID 22400838
4-[3-(2-phenoxyphenyl)propoxy]benzoic acid
CID 57156772
2-[(2-phenoxyanilino)methyl]phenol
CID 43823583
2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
4-phenoxybenzoic acid;hydrochloride
CID 70385625
benzoic acid;2-phenoxybenzoic acid
CID 160712085
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
4-(1-benzothiophen-3-ylmethylamino)benzoic acid
CID 62700164

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 4-[(2-phenoxyphenyl)methylamino]benzoic acid (CID 71055366) is 4-[(2-phenoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 4-[(2-phenoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 4-[(2-phenoxyphenyl)methylamino]benzoic acid is O=C(O)c1ccc(NCc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 4-[(2-phenoxyphenyl)methylamino]benzoic acid?
The InChIKey is DYQLZLRSDKEGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(23)15-10-12-17(13-11-15)21-14-16-6-4-5-9-19(16)24-18-7-2-1-3-8-18/h1-13,21H,14H2,(H,22,23).
What are the key properties of 4-[(2-phenoxyphenyl)methylamino]benzoic acid?
4-[(2-phenoxyphenyl)methylamino]benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 71055366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).