N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine

C15H18INS — CID 79693155

IUPACN-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1csc(I)c1
InChIInChI=1S/C15H18INS/c1-3-17-14(13-9-15(16)18-10-13)8-12-6-4-5-11(2)7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyPBLILQVXRYKRJE-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.55
Rot. Bonds5

About N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine

N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 79693155) has the molecular formula C15H18INS and a molecular weight of 371.29 g/mol. Its IUPAC name is N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
PubChem CID79693155
Molecular FormulaC15H18INS
Molecular Weight371.29 g/mol
Exact Mass371.02
IUPAC NameN-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1csc(I)c1
InChIInChI=1S/C15H18INS/c1-3-17-14(13-9-15(16)18-10-13)8-12-6-4-5-11(2)7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyPBLILQVXRYKRJE-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.55
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-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 79693438
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115863174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine (CID 79693155) is N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)c1csc(I)c1.
What is the InChIKey of N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is PBLILQVXRYKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INS/c1-3-17-14(13-9-15(16)18-10-13)8-12-6-4-5-11(2)7-12/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 371.29 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79693155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).