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

C17H16FNS — CID 43687867

IUPACN-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine
SMILESCCC(Nc1ccc2sccc2c1)c1ccc(F)cc1
InChIInChI=1S/C17H16FNS/c1-2-16(12-3-5-14(18)6-4-12)19-15-7-8-17-13(11-15)9-10-20-17/h3-11,16,19H,2H2,1H3
InChIKeyOLKWGULNTYLOLU-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.60
Rot. Bonds4

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

N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine (PubChem CID 43687867) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine
PubChem CID43687867
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC NameN-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine
SMILESCCC(Nc1ccc2sccc2c1)c1ccc(F)cc1
InChIInChI=1S/C17H16FNS/c1-2-16(12-3-5-14(18)6-4-12)19-15-7-8-17-13(11-15)9-10-20-17/h3-11,16,19H,2H2,1H3
InChIKeyOLKWGULNTYLOLU-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.60
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)propyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine (CID 43687867) is N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine is CCC(Nc1ccc2sccc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine?
The InChIKey is OLKWGULNTYLOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-2-16(12-3-5-14(18)6-4-12)19-15-7-8-17-13(11-15)9-10-20-17/h3-11,16,19H,2H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine?
N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine has a molecular weight of 285.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43687867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).