N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C10H14INS — CID 82687105

IUPACN-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCNC1CCCc2sc(I)cc21
InChIInChI=1S/C10H14INS/c1-2-12-8-4-3-5-9-7(8)6-10(11)13-9/h6,8,12H,2-5H2,1H3
InChIKeyGYAWFVFTHFLPCK-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.34
Rot. Bonds2

About N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82687105) has the molecular formula C10H14INS and a molecular weight of 307.20 g/mol. Its IUPAC name is N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82687105
Molecular FormulaC10H14INS
Molecular Weight307.20 g/mol
Exact Mass306.99
IUPAC NameN-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCNC1CCCc2sc(I)cc21
InChIInChI=1S/C10H14INS/c1-2-12-8-4-3-5-9-7(8)6-10(11)13-9/h6,8,12H,2-5H2,1H3
InChIKeyGYAWFVFTHFLPCK-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.34
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

N-[(4-ethylphenyl)methyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106899394
N',N'-diethyl-N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethane-1,2-diamine
CID 82687027
2-iodo-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686530
2-ethyl-2-[[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]methyl]butan-1-ol
CID 106250834
N-(2,2-dicyclopropylethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690213
2-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82011358
N-[2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]ethyl]methanesulfonamide
CID 82686031
N-ethyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-methylacetamide
CID 107627206
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687214
2-[[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]methyl]phenol
CID 114331527
2-iodo-N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114168997
N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
CID 82686761

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82687105) is N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCNC1CCCc2sc(I)cc21.
What is the InChIKey of N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is GYAWFVFTHFLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INS/c1-2-12-8-4-3-5-9-7(8)6-10(11)13-9/h6,8,12H,2-5H2,1H3.
What are the key properties of N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 307.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82687105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).