2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine

C14H15FINS — CID 105050997

IUPAC2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1csc(I)c1
InChIInChI=1S/C14H15FINS/c1-9-5-12(15)4-3-10(9)6-13(17-2)11-7-14(16)18-8-11/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyVTEMLOIGOILMHD-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.30
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine

2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine (PubChem CID 105050997) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
PubChem CID105050997
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1csc(I)c1
InChIInChI=1S/C14H15FINS/c1-9-5-12(15)4-3-10(9)6-13(17-2)11-7-14(16)18-8-11/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyVTEMLOIGOILMHD-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.30
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-chloro-4-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 106867801
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105035474
2-(2,5-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 115863017
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247
[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105297096
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
N-[2-(2-chloro-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102622498
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105188368
1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843418

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine (CID 105050997) is 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1csc(I)c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
The InChIKey is VTEMLOIGOILMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-9-5-12(15)4-3-10(9)6-13(17-2)11-7-14(16)18-8-11/h3-5,7-8,13,17H,6H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine has a molecular weight of 375.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 105050997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).