2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

C19H20FNS — CID 11544156

IUPAC2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
InChIKeyAWYSEPZPTVMKBT-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.74
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 11544156) has the molecular formula C19H20FNS and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID11544156
Molecular FormulaC19H20FNS
Molecular Weight313.44 g/mol
Exact Mass313.13
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
InChIKeyAWYSEPZPTVMKBT-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 11544156) is 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is AWYSEPZPTVMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11544156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).