2-[2-(2-phenylethylamino)ethoxy]benzoic acid

C17H19NO3 — CID 103234116

IUPAC2-[2-(2-phenylethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNCCc1ccccc1
InChIInChI=1S/C17H19NO3/c19-17(20)15-8-4-5-9-16(15)21-13-12-18-11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,20)
InChIKeyMVKDPZYVEXTNNU-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.60
Rot. Bonds8

About 2-[2-(2-phenylethylamino)ethoxy]benzoic acid

2-[2-(2-phenylethylamino)ethoxy]benzoic acid (PubChem CID 103234116) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-(2-phenylethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-phenylethylamino)ethoxy]benzoic acid
PubChem CID103234116
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[2-(2-phenylethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNCCc1ccccc1
InChIInChI=1S/C17H19NO3/c19-17(20)15-8-4-5-9-16(15)21-13-12-18-11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,20)
InChIKeyMVKDPZYVEXTNNU-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103258003
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103268835
2-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethoxy]benzoic acid
CID 106430098
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
CID 103240030
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239179
2-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethoxy]benzoic acid
CID 106178233
2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
CID 103256335
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 106178113
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethylamino)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-phenylethylamino)ethoxy]benzoic acid (CID 103234116) is 2-[2-(2-phenylethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-phenylethylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-phenylethylamino)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCNCCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethylamino)ethoxy]benzoic acid?
The InChIKey is MVKDPZYVEXTNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)15-8-4-5-9-16(15)21-13-12-18-11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,20).
What are the key properties of 2-[2-(2-phenylethylamino)ethoxy]benzoic acid?
2-[2-(2-phenylethylamino)ethoxy]benzoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 103234116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).