N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine

C16H14FNS — CID 43233665

IUPACN-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNS/c1-11(12-2-4-14(17)5-3-12)18-15-6-7-16-13(10-15)8-9-19-16/h2-11,18H,1H3
InChIKeyBBWMHXVQLCIFHC-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.21
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine

N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine (PubChem CID 43233665) has the molecular formula C16H14FNS and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine
PubChem CID43233665
Molecular FormulaC16H14FNS
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNS/c1-11(12-2-4-14(17)5-3-12)18-15-6-7-16-13(10-15)8-9-19-16/h2-11,18H,1H3
InChIKeyBBWMHXVQLCIFHC-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine (CID 43233665) is N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine is CC(Nc1ccc2sccc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine?
The InChIKey is BBWMHXVQLCIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS/c1-11(12-2-4-14(17)5-3-12)18-15-6-7-16-13(10-15)8-9-19-16/h2-11,18H,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine?
N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine has a molecular weight of 271.36 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43233665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).