2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine

C20H22FNOS — CID 22666360

IUPAC2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCOCCc1ccc2sccc2c1)Cc1ccc(F)cc1
InChIInChI=1S/C20H22FNOS/c1-22(15-17-2-5-19(21)6-3-17)10-12-23-11-8-16-4-7-20-18(14-16)9-13-24-20/h2-7,9,13-14H,8,10-12,15H2,1H3
InChIKeyHAYURPJODICEDJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.73
Rot. Bonds8

About 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine

2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 22666360) has the molecular formula C20H22FNOS and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine
PubChem CID22666360
Molecular FormulaC20H22FNOS
Molecular Weight343.47 g/mol
Exact Mass343.14
IUPAC Name2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCOCCc1ccc2sccc2c1)Cc1ccc(F)cc1
InChIInChI=1S/C20H22FNOS/c1-22(15-17-2-5-19(21)6-3-17)10-12-23-11-8-16-4-7-20-18(14-16)9-13-24-20/h2-7,9,13-14H,8,10-12,15H2,1H3
InChIKeyHAYURPJODICEDJ-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
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-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine (CID 22666360) is 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine is CN(CCOCCc1ccc2sccc2c1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is HAYURPJODICEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS/c1-22(15-17-2-5-19(21)6-3-17)10-12-23-11-8-16-4-7-20-18(14-16)9-13-24-20/h2-7,9,13-14H,8,10-12,15H2,1H3.
What are the key properties of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 343.47 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 22666360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).