N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine

C17H20FNS — CID 115827907

IUPACN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(s1)CCC2)c1ccccc1F
InChIInChI=1S/C17H20FNS/c1-2-10-19-17(13-7-3-4-8-14(13)18)16-11-12-6-5-9-15(12)20-16/h3-4,7-8,11,17,19H,2,5-6,9-10H2,1H3
InChIKeyNZMRMSPDLGNSKQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.46
Rot. Bonds5

About N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 115827907) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
PubChem CID115827907
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(s1)CCC2)c1ccccc1F
InChIInChI=1S/C17H20FNS/c1-2-10-19-17(13-7-3-4-8-14(13)18)16-11-12-6-5-9-15(12)20-16/h3-4,7-8,11,17,19H,2,5-6,9-10H2,1H3
InChIKeyNZMRMSPDLGNSKQ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 105011777
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63527239
N-[(4-chlorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 43494735
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 115795104
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
N-[(3-bromofuran-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115861372
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850557
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854665
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653168
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852558

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine (CID 115827907) is N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cc2c(s1)CCC2)c1ccccc1F.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is NZMRMSPDLGNSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-2-10-19-17(13-7-3-4-8-14(13)18)16-11-12-6-5-9-15(12)20-16/h3-4,7-8,11,17,19H,2,5-6,9-10H2,1H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine?
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115827907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).