N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine

C11H16FNS — CID 81106933

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16FNS/c12-5-2-6-13-8-10-7-9-3-1-4-11(9)14-10/h7,13H,1-6,8H2
InChIKeyJATRRADGQHXDPD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.69
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine (PubChem CID 81106933) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine
PubChem CID81106933
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16FNS/c12-5-2-6-13-8-10-7-9-3-1-4-11(9)14-10/h7,13H,1-6,8H2
InChIKeyJATRRADGQHXDPD-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793
4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine
CID 24688589
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2060827
n-((3-Methylthiophen-2-yl)methyl)heptan-2-amine
CID 16259083
{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43214096
{4H,5H,6H-cyclopenta[b]thiophen-2-yl}methanamine hydrochloride
CID 138987931
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine (CID 81106933) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine is FCCCNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine?
The InChIKey is JATRRADGQHXDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c12-5-2-6-13-8-10-7-9-3-1-4-11(9)14-10/h7,13H,1-6,8H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.69, 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-ylmethyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 81106933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).