3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

C18H20FNS — CID 79433588

IUPAC3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(CC1CSc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H20FNS/c1-20-11-14(13-6-8-16(19)9-7-13)10-15-12-21-18-5-3-2-4-17(15)18/h2-9,14-15,20H,10-12H2,1H3
InChIKeyATXAUUQFHNLBNS-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.41
Rot. Bonds5

About 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79433588) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79433588
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(CC1CSc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H20FNS/c1-20-11-14(13-6-8-16(19)9-7-13)10-15-12-21-18-5-3-2-4-17(15)18/h2-9,14-15,20H,10-12H2,1H3
InChIKeyATXAUUQFHNLBNS-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-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

3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine
CID 79225975
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine
CID 79221531
4-(2,3-dihydro-1-benzothiophen-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81016520
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
2-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propan-2-ylpropan-1-amine
CID 115926687
3-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79226883
N-[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83139831
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylpentan-2-amine
CID 79221584

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (CID 79433588) is 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(CC1CSc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is ATXAUUQFHNLBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c1-20-11-14(13-6-8-16(19)9-7-13)10-15-12-21-18-5-3-2-4-17(15)18/h2-9,14-15,20H,10-12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79433588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).