2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol

C19H26FNO2S — CID 22728193

IUPAC2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1sc(CCCCOc2ccccc2)cc1F
InChIInChI=1S/C19H26FNO2S/c1-19(21,14-22)11-10-18-17(20)13-16(24-18)9-5-6-12-23-15-7-3-2-4-8-15/h2-4,7-8,13,22H,5-6,9-12,14,21H2,1H3
InChIKeyANNLZXKRIFJOQO-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.93
Rot. Bonds10

About 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol

2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol (PubChem CID 22728193) has the molecular formula C19H26FNO2S and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol
PubChem CID22728193
Molecular FormulaC19H26FNO2S
Molecular Weight351.49 g/mol
Exact Mass351.17
IUPAC Name2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1sc(CCCCOc2ccccc2)cc1F
InChIInChI=1S/C19H26FNO2S/c1-19(21,14-22)11-10-18-17(20)13-16(24-18)9-5-6-12-23-15-7-3-2-4-8-15/h2-4,7-8,13,22H,5-6,9-12,14,21H2,1H3
InChIKeyANNLZXKRIFJOQO-UHFFFAOYSA-N
XLogP3.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol 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

[2-Amino-4-[5-[4-(4-fluorophenoxy)butyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate
CID 10025751
2-Amino-4-[5-[4-(4-fluorophenoxy)but-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 10150051
2-Amino-4-[5-[4-(4-fluorophenoxy)butyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 10291570
[3-Amino-5-[5-[4-(4-fluorophenoxy)butyl]thiophen-2-yl]-3-methylpentyl]phosphonic acid
CID 10477728
[2-Amino-4-[5-[3-(3,4-difluorophenoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate
CID 18448049
[2-Amino-4-[5-[3-(3,5-difluorophenoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate
CID 18448051
2-Amino-4-[5-[3-(3,5-difluorophenoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279692
2-Amino-4-[5-[4-(3-fluorophenoxy)but-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279725
2-Amino-2-methyl-4-[5-[4-[3-(trifluoromethyl)phenoxy]but-1-ynyl]thiophen-2-yl]butan-1-ol
CID 22279742
1-[5-(3-Amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-(3-fluorophenoxy)butan-1-one
CID 22279761
1-[5-(3-Amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-(4-fluorophenoxy)butan-1-one
CID 22279790
2-Amino-4-[5-[3-(3,4-difluorophenoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279805

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol (CID 22728193) is 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol is CC(N)(CO)CCc1sc(CCCCOc2ccccc2)cc1F.
What is the InChIKey of 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol?
The InChIKey is ANNLZXKRIFJOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2S/c1-19(21,14-22)11-10-18-17(20)13-16(24-18)9-5-6-12-23-15-7-3-2-4-8-15/h2-4,7-8,13,22H,5-6,9-12,14,21H2,1H3.
What are the key properties of 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol?
2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol has a molecular weight of 351.49 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-fluoro-5-(4-phenoxybutyl)thiophen-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 22728193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).