N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine

C16H13F2NS — CID 43687757

IUPACN-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NS/c1-10(16-13(17)3-2-4-14(16)18)19-12-5-6-15-11(9-12)7-8-20-15/h2-10,19H,1H3
InChIKeyWUWGBOPVCSRVQR-UHFFFAOYSA-N
MW289.35 g/mol
LogP5.35
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine

N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine (PubChem CID 43687757) has the molecular formula C16H13F2NS and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
PubChem CID43687757
Molecular FormulaC16H13F2NS
Molecular Weight289.35 g/mol
Exact Mass289.07
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NS/c1-10(16-13(17)3-2-4-14(16)18)19-12-5-6-15-11(9-12)7-8-20-15/h2-10,19H,1H3
InChIKeyWUWGBOPVCSRVQR-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.35
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
N-[1-(2,4,5-trimethylphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687640
N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43781971
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 43686857
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine
CID 65192021
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
N-(1-cyclohexylethyl)-1-benzothiophen-5-amine
CID 43781950
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine (CID 43687757) is N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine is CC(Nc1ccc2sccc2c1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine?
The InChIKey is WUWGBOPVCSRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NS/c1-10(16-13(17)3-2-4-14(16)18)19-12-5-6-15-11(9-12)7-8-20-15/h2-10,19H,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine?
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine has a molecular weight of 289.35 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43687757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).