N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C19H24IN — CID 115828983

IUPACN-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1ccccc1I
InChIInChI=1S/C19H24IN/c1-5-21-19(16-8-6-7-9-18(16)20)12-17-14(3)10-13(2)11-15(17)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeyWEMRHYLAVABTJE-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.11
Rot. Bonds5

About N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115828983) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115828983
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC NameN-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1ccccc1I
InChIInChI=1S/C19H24IN/c1-5-21-19(16-8-6-7-9-18(16)20)12-17-14(3)10-13(2)11-15(17)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeyWEMRHYLAVABTJE-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.11
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-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(2-bromofuran-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 106857185
N-ethyl-1-(2-iodophenyl)decan-1-amine
CID 115831642
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
CID 104992817
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
CID 105033956
2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline
CID 105223956
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115828983) is N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is CCNC(Cc1c(C)cc(C)cc1C)c1ccccc1I.
What is the InChIKey of N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is WEMRHYLAVABTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN/c1-5-21-19(16-8-6-7-9-18(16)20)12-17-14(3)10-13(2)11-15(17)4/h6-11,19,21H,5,12H2,1-4H3.
What are the key properties of N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 393.31 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115828983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).