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

C14H15FINS — CID 79693438

IUPACN-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1csc(I)c1
InChIInChI=1S/C14H15FINS/c1-2-17-13(11-8-14(16)18-9-11)7-10-5-3-4-6-12(10)15/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyJERRAGVDPRWNDA-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.39
Rot. Bonds5

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

N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 79693438) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID79693438
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC NameN-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1csc(I)c1
InChIInChI=1S/C14H15FINS/c1-2-17-13(11-8-14(16)18-9-11)7-10-5-3-4-6-12(10)15/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyJERRAGVDPRWNDA-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.39
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-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115863174
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
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-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 79693155
N-[2-(3-chloro-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102866714
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61065242
N-[2-(2-chloro-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102622498
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine (CID 79693438) is N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine is CCNC(Cc1ccccc1F)c1csc(I)c1.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is JERRAGVDPRWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-2-17-13(11-8-14(16)18-9-11)7-10-5-3-4-6-12(10)15/h3-6,8-9,13,17H,2,7H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 375.25 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 79693438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).