N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H20FNS — CID 62842173

IUPACN-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFc1cccc(C2CC(NC3CCCc4sccc43)C2)c1
InChIInChI=1S/C18H20FNS/c19-14-4-1-3-12(9-14)13-10-15(11-13)20-17-5-2-6-18-16(17)7-8-21-18/h1,3-4,7-9,13,15,17,20H,2,5-6,10-11H2
InChIKeyHFGFKEKDWYWMNZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.80
Rot. Bonds3

About N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62842173) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62842173
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFc1cccc(C2CC(NC3CCCc4sccc43)C2)c1
InChIInChI=1S/C18H20FNS/c19-14-4-1-3-12(9-14)13-10-15(11-13)20-17-5-2-6-18-16(17)7-8-21-18/h1,3-4,7-9,13,15,17,20H,2,5-6,10-11H2
InChIKeyHFGFKEKDWYWMNZ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-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-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115714273
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840030
N-[1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842289
3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
CID 62092486
N-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dioxan-5-amine
CID 113429660
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79899872
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783841
N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714381

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62842173) is N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Fc1cccc(C2CC(NC3CCCc4sccc43)C2)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is HFGFKEKDWYWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c19-14-4-1-3-12(9-14)13-10-15(11-13)20-17-5-2-6-18-16(17)7-8-21-18/h1,3-4,7-9,13,15,17,20H,2,5-6,10-11H2.
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 301.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62842173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).