N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline

C15H13F3IN — CID 43758444

IUPACN-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccccc1C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C15H13F3IN/c1-10(11-6-8-12(19)9-7-11)20-14-5-3-2-4-13(14)15(16,17)18/h2-10,20H,1H3
InChIKeyXRKRZMKIICDFCB-UHFFFAOYSA-N
MW391.17 g/mol
LogP5.48
Rot. Bonds3

About N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline

N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 43758444) has the molecular formula C15H13F3IN and a molecular weight of 391.17 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID43758444
Molecular FormulaC15H13F3IN
Molecular Weight391.17 g/mol
Exact Mass391.00
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccccc1C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C15H13F3IN/c1-10(11-6-8-12(19)9-7-11)20-14-5-3-2-4-13(14)15(16,17)18/h2-10,20H,1H3
InChIKeyXRKRZMKIICDFCB-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.17
LogP ≤ 55.48
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

2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
CID 43757793
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43782874
2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
CID 43790452
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812139
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline (CID 43758444) is N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline is CC(Nc1ccccc1C(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is XRKRZMKIICDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3IN/c1-10(11-6-8-12(19)9-7-11)20-14-5-3-2-4-13(14)15(16,17)18/h2-10,20H,1H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline?
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 391.17 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43758444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).