2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid

C19H22FNO4 — CID 67722892

IUPAC2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid
SMILESCC(N)C(CCCOc1ccc(Oc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H22FNO4/c1-13(21)18(19(22)23)3-2-12-24-15-8-10-17(11-9-15)25-16-6-4-14(20)5-7-16/h4-11,13,18H,2-3,12,21H2,1H3,(H,22,23)
InChIKeyDAODAKOCXJAFFY-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.83
Rot. Bonds9

About 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid

2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid (PubChem CID 67722892) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid
PubChem CID67722892
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid
SMILESCC(N)C(CCCOc1ccc(Oc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H22FNO4/c1-13(21)18(19(22)23)3-2-12-24-15-8-10-17(11-9-15)25-16-6-4-14(20)5-7-16/h4-11,13,18H,2-3,12,21H2,1H3,(H,22,23)
InChIKeyDAODAKOCXJAFFY-UHFFFAOYSA-N
XLogP3.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
4-(4-fluorophenoxy)butanamide
CID 43244704
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
4-(4-methylpentoxy)benzoic acid
CID 22645282
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
diethyl 2-[5-(4-fluorophenoxy)pentyl]propanedioate
CID 5011278
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
(3S,5S)-3-(aminomethyl)-7-(4-fluorophenoxy)-5-methylheptanoic acid
CID 53240991

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid?
The IUPAC name of 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid (CID 67722892) is 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid.
What is the SMILES notation for 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid?
The canonical SMILES for 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid is CC(N)C(CCCOc1ccc(Oc2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid?
The InChIKey is DAODAKOCXJAFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-13(21)18(19(22)23)3-2-12-24-15-8-10-17(11-9-15)25-16-6-4-14(20)5-7-16/h4-11,13,18H,2-3,12,21H2,1H3,(H,22,23).
What are the key properties of 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid?
2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid has a molecular weight of 347.39 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[4-(4-fluorophenoxy)phenoxy]pentanoic acid is sourced from PubChem (CID 67722892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).