3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid

C20H24FNO3 — CID 18678210

IUPAC3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid
SMILESO=C(O)CCNCCCCOc1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3/c21-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)25-14-2-1-12-22-13-11-20(23)24/h3-10,22H,1-2,11-15H2,(H,23,24)
InChIKeyXIHZIZDRISBIKN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.64
Rot. Bonds11

About 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid

3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid (PubChem CID 18678210) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid.

Molecular Properties

Compound Name3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid
PubChem CID18678210
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid
SMILESO=C(O)CCNCCCCOc1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3/c21-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)25-14-2-1-12-22-13-11-20(23)24/h3-10,22H,1-2,11-15H2,(H,23,24)
InChIKeyXIHZIZDRISBIKN-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic 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

chloro 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoate
CID 156654579
3-[3-(4-benzylphenoxy)propylamino]propanoic acid
CID 10425734
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
3-[4-[(4-fluorophenyl)methyl]phenoxy]propyl 3-(methylamino)propanoate
CID 67648869
3-[3-(4-hexoxyphenyl)propylamino]propanoic acid;hydrochloride
CID 23121390
3-[3-[4-[3-(4-chlorophenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121328
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
3-[2-[4-[2-(4-tert-butylphenyl)ethoxy]phenyl]ethylamino]propanoic acid
CID 23121121
3-[3-[4-(3,3-diphenylpropoxy)phenyl]propylamino]propanoic acid
CID 23121607

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid?
The IUPAC name of 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid (CID 18678210) is 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid.
What is the SMILES notation for 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid?
The canonical SMILES for 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid is O=C(O)CCNCCCCOc1ccc(Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid?
The InChIKey is XIHZIZDRISBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c21-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)25-14-2-1-12-22-13-11-20(23)24/h3-10,22H,1-2,11-15H2,(H,23,24).
What are the key properties of 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid?
3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid has a molecular weight of 345.41 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(4-fluorophenyl)methyl]phenoxy]butylamino]propanoic acid is sourced from PubChem (CID 18678210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).