1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine

C14H13F3INOS — CID 115843418

IUPAC1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)c1csc(I)c1
InChIInChI=1S/C14H13F3INOS/c1-19-12(10-7-13(18)21-8-10)6-9-2-4-11(5-3-9)20-14(15,16)17/h2-5,7-8,12,19H,6H2,1H3
InChIKeyCDJUARXBJGFQBU-UHFFFAOYSA-N
MW427.23 g/mol
LogP4.75
Rot. Bonds5

About 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine

1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115843418) has the molecular formula C14H13F3INOS and a molecular weight of 427.23 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115843418
Molecular FormulaC14H13F3INOS
Molecular Weight427.23 g/mol
Exact Mass426.97
IUPAC Name1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)c1csc(I)c1
InChIInChI=1S/C14H13F3INOS/c1-19-12(10-7-13(18)21-8-10)6-9-2-4-11(5-3-9)20-14(15,16)17/h2-5,7-8,12,19H,6H2,1H3
InChIKeyCDJUARXBJGFQBU-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296941
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 62601116
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105035474
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-iodothiophene
CID 79691202
2-(2,5-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 115863017
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 115843418) is 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine is CNC(Cc1ccc(OC(F)(F)F)cc1)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is CDJUARXBJGFQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3INOS/c1-19-12(10-7-13(18)21-8-10)6-9-2-4-11(5-3-9)20-14(15,16)17/h2-5,7-8,12,19H,6H2,1H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 427.23 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115843418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).