2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine

C12H14FNS — CID 176716325

IUPAC2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1csc2cccc(F)c12
InChIInChI=1S/C12H14FNS/c1-14(2)7-6-9-8-15-11-5-3-4-10(13)12(9)11/h3-5,8H,6-7H2,1-2H3
InChIKeyWFUUAZNKSBZHEI-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine

2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine (PubChem CID 176716325) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
PubChem CID176716325
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1csc2cccc(F)c12
InChIInChI=1S/C12H14FNS/c1-14(2)7-6-9-8-15-11-5-3-4-10(13)12(9)11/h3-5,8H,6-7H2,1-2H3
InChIKeyWFUUAZNKSBZHEI-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
CID 86137864
4-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene
CID 117170884
N,N-dimethyl-2-[4-[(Z)-2-methylidenedodec-10-enyl]-1-benzothiophen-3-yl]ethanamine
CID 156821149
N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117170813
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291
3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine
CID 117119292
2-(1-benzothiophen-3-yl)ethyl-methylcyanamide
CID 117043578
(4-methyl-1-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate
CID 11208073
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine (CID 176716325) is 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine is CN(C)CCc1csc2cccc(F)c12.
What is the InChIKey of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The InChIKey is WFUUAZNKSBZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-14(2)7-6-9-8-15-11-5-3-4-10(13)12(9)11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine?
2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine has a molecular weight of 223.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 176716325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).