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

C20H28FNOS — CID 22728181

IUPAC2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1sc(CCCCCc2ccccc2)cc1F
InChIInChI=1S/C20H28FNOS/c1-20(22,15-23)13-12-19-18(21)14-17(24-19)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,14,23H,3,6-7,10-13,15,22H2,1H3
InChIKeyJHYXPMGWJJLFJB-UHFFFAOYSA-N
MW349.51 g/mol
LogP4.49
Rot. Bonds10

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

2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol (PubChem CID 22728181) has the molecular formula C20H28FNOS and a molecular weight of 349.51 g/mol. Its IUPAC name is 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol
PubChem CID22728181
Molecular FormulaC20H28FNOS
Molecular Weight349.51 g/mol
Exact Mass349.19
IUPAC Name2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1sc(CCCCCc2ccccc2)cc1F
InChIInChI=1S/C20H28FNOS/c1-20(22,15-23)13-12-19-18(21)14-17(24-19)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,14,23H,3,6-7,10-13,15,22H2,1H3
InChIKeyJHYXPMGWJJLFJB-UHFFFAOYSA-N
XLogP4.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol (CID 22728181) is 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol is CC(N)(CO)CCc1sc(CCCCCc2ccccc2)cc1F.
What is the InChIKey of 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol?
The InChIKey is JHYXPMGWJJLFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNOS/c1-20(22,15-23)13-12-19-18(21)14-17(24-19)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,14,23H,3,6-7,10-13,15,22H2,1H3.
What are the key properties of 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol?
2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol has a molecular weight of 349.51 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 22728181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).