N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine

C17H16FNS — CID 81154048

IUPACN-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2cccc3ccsc23)c1
InChIInChI=1S/C17H16FNS/c1-2-19-11-12-6-7-16(18)15(10-12)14-5-3-4-13-8-9-20-17(13)14/h3-10,19H,2,11H2,1H3
InChIKeyFDPLZFIEAFSWIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.82
Rot. Bonds4

About N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine

N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine (PubChem CID 81154048) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
PubChem CID81154048
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC NameN-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2cccc3ccsc23)c1
InChIInChI=1S/C17H16FNS/c1-2-19-11-12-6-7-16(18)15(10-12)14-5-3-4-13-8-9-20-17(13)14/h3-10,19H,2,11H2,1H3
InChIKeyFDPLZFIEAFSWIW-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]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

N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 81128764
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[4-(1-benzothiophen-7-yl)-3-methylphenyl]methyl]propan-1-amine
CID 81128623
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62801471
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 81128766
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
CID 79991631
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
7-(5-fluoro-2-methylphenyl)-1-benzothiophene
CID 141220545

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine (CID 81154048) is N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2cccc3ccsc23)c1.
What is the InChIKey of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine?
The InChIKey is FDPLZFIEAFSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-2-19-11-12-6-7-16(18)15(10-12)14-5-3-4-13-8-9-20-17(13)14/h3-10,19H,2,11H2,1H3.
What are the key properties of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine?
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 81154048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).