N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine

C17H19FIN — CID 105377069

IUPACN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1ccccc1I
InChIInChI=1S/C17H19FIN/c1-3-20-17(15-6-4-5-7-16(15)19)11-13-10-14(18)9-8-12(13)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeySAMCJPLVAVXJMM-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.63
Rot. Bonds5

About N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine (PubChem CID 105377069) has the molecular formula C17H19FIN and a molecular weight of 383.25 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
PubChem CID105377069
Molecular FormulaC17H19FIN
Molecular Weight383.25 g/mol
Exact Mass383.05
IUPAC NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1ccccc1I
InChIInChI=1S/C17H19FIN/c1-3-20-17(15-6-4-5-7-16(15)19)11-13-10-14(18)9-8-12(13)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeySAMCJPLVAVXJMM-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828983
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 105051078
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine (CID 105377069) is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1ccccc1I.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine?
The InChIKey is SAMCJPLVAVXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FIN/c1-3-20-17(15-6-4-5-7-16(15)19)11-13-10-14(18)9-8-12(13)2/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine?
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine has a molecular weight of 383.25 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine is sourced from PubChem (CID 105377069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).