N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine

C14H16INS — CID 61078733

IUPACN-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccccc1I
InChIInChI=1S/C14H16INS/c1-2-16-14(9-11-7-8-17-10-11)12-5-3-4-6-13(12)15/h3-8,10,14,16H,2,9H2,1H3
InChIKeyBVUAQNAUGJVAJQ-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.25
Rot. Bonds5

About N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine

N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine (PubChem CID 61078733) has the molecular formula C14H16INS and a molecular weight of 357.26 g/mol. Its IUPAC name is N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
PubChem CID61078733
Molecular FormulaC14H16INS
Molecular Weight357.26 g/mol
Exact Mass357.00
IUPAC NameN-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccccc1I
InChIInChI=1S/C14H16INS/c1-2-16-14(9-11-7-8-17-10-11)12-5-3-4-6-13(12)15/h3-8,10,14,16H,2,9H2,1H3
InChIKeyBVUAQNAUGJVAJQ-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.25
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

1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027020
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
CID 105137590
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828983
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine (CID 61078733) is N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ccccc1I.
What is the InChIKey of N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine?
The InChIKey is BVUAQNAUGJVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INS/c1-2-16-14(9-11-7-8-17-10-11)12-5-3-4-6-13(12)15/h3-8,10,14,16H,2,9H2,1H3.
What are the key properties of N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine has a molecular weight of 357.26 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).