1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine

C16H14FNS — CID 43150867

IUPAC1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1csc2ccccc12
InChIInChI=1S/C16H14FNS/c17-12-5-3-4-11(8-12)9-15(18)14-10-19-16-7-2-1-6-13(14)16/h1-8,10,15H,9,18H2
InChIKeySLXOKJKBAWZLKM-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.28
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine

1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 43150867) has the molecular formula C16H14FNS and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID43150867
Molecular FormulaC16H14FNS
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC Name1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1csc2ccccc12
InChIInChI=1S/C16H14FNS/c17-12-5-3-4-11(8-12)9-15(18)14-10-19-16-7-2-1-6-13(14)16/h1-8,10,15H,9,18H2
InChIKeySLXOKJKBAWZLKM-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine 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

1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893
[1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286405
1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115864884
2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79803199
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448229
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine (CID 43150867) is 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is SLXOKJKBAWZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS/c17-12-5-3-4-11(8-12)9-15(18)14-10-19-16-7-2-1-6-13(14)16/h1-8,10,15H,9,18H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43150867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).