N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C10H13FINS — CID 130503747

IUPACN-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFCCNC1CCCc2sc(I)cc21
InChIInChI=1S/C10H13FINS/c11-4-5-13-8-2-1-3-9-7(8)6-10(12)14-9/h6,8,13H,1-5H2
InChIKeyNEWXJQSMJAPUOP-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.29
Rot. Bonds3

About N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 130503747) has the molecular formula C10H13FINS and a molecular weight of 325.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID130503747
Molecular FormulaC10H13FINS
Molecular Weight325.19 g/mol
Exact Mass324.98
IUPAC NameN-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFCCNC1CCCc2sc(I)cc21
InChIInChI=1S/C10H13FINS/c11-4-5-13-8-2-1-3-9-7(8)6-10(12)14-9/h6,8,13H,1-5H2
InChIKeyNEWXJQSMJAPUOP-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
4,5,6,7-Tetrahydro-1-benzothiophen-4-amine
CID 4216372
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
1-Phenyl-N-(2-thienylmethyl)-1-ethanamine
CID 2760382
{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43214096
4,5,6,7-Tetrahydrobenzo[b]thiophen-4-amine hydrochloride
CID 17388600
1-(2,5-Dimethylthiophen-3-yl)-N-(3-fluorobenzyl)ethan-1-amine
CID 42956478
{[5-(3-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43287182
1-(2,2-difluoroethyl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]piperidin-4-amine
CID 97602412
2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
CID 101163483
2-Fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 67190166

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 130503747) is N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is FCCNC1CCCc2sc(I)cc21.
What is the InChIKey of N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is NEWXJQSMJAPUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FINS/c11-4-5-13-8-2-1-3-9-7(8)6-10(12)14-9/h6,8,13H,1-5H2.
What are the key properties of N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 325.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 130503747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).