2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid

C18H22N2O5 — CID 10269121

IUPAC2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid
SMILESNc1ccccc1C(O)CNCCOc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H22N2O5/c19-16-4-2-1-3-15(16)17(21)11-20-9-10-24-13-5-7-14(8-6-13)25-12-18(22)23/h1-8,17,20-21H,9-12,19H2,(H,22,23)
InChIKeyYLNNDAFOGNQZBQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.43
Rot. Bonds10

About 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid

2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid (PubChem CID 10269121) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid
PubChem CID10269121
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid
SMILESNc1ccccc1C(O)CNCCOc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H22N2O5/c19-16-4-2-1-3-15(16)17(21)11-20-9-10-24-13-5-7-14(8-6-13)25-12-18(22)23/h1-8,17,20-21H,9-12,19H2,(H,22,23)
InChIKeyYLNNDAFOGNQZBQ-UHFFFAOYSA-N
XLogP1.43
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
2-(2-phenoxyethylamino)acetic acid
CID 13236095
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
CID 62269877
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
1-(2,3-diaminophenoxy)-3-(2-phenoxyethylamino)propan-2-ol
CID 150763746
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid (CID 10269121) is 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid is Nc1ccccc1C(O)CNCCOc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid?
The InChIKey is YLNNDAFOGNQZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c19-16-4-2-1-3-15(16)17(21)11-20-9-10-24-13-5-7-14(8-6-13)25-12-18(22)23/h1-8,17,20-21H,9-12,19H2,(H,22,23).
What are the key properties of 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid?
2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 1.43, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(2-aminophenyl)-2-hydroxyethyl]amino]ethoxy]phenoxy]acetic acid is sourced from PubChem (CID 10269121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).