2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

C19H21FN2S — CID 11493620

IUPAC2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESC[C@@H](c1ccc(F)cn1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C19H21FN2S/c1-13(16-9-8-14(20)12-21-16)19-15-6-4-5-7-17(15)23-18(19)10-11-22(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZQADELCMZHYIPT-ZDUSSCGKSA-N
MW328.46 g/mol
LogP4.69
Rot. Bonds5

About 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 11493620) has the molecular formula C19H21FN2S and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID11493620
Molecular FormulaC19H21FN2S
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC Name2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESC[C@@H](c1ccc(F)cn1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C19H21FN2S/c1-13(16-9-8-14(20)12-21-16)19-15-6-4-5-7-17(15)23-18(19)10-11-22(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZQADELCMZHYIPT-ZDUSSCGKSA-N
XLogP4.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 11493620) is 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is C[C@@H](c1ccc(F)cn1)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is ZQADELCMZHYIPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2S/c1-13(16-9-8-14(20)12-21-16)19-15-6-4-5-7-17(15)23-18(19)10-11-22(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine has a molecular weight of 328.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11493620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).