N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine

C12H15F3IN — CID 104992817

IUPACN-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccccc1I
InChIInChI=1S/C12H15F3IN/c1-2-17-11(7-8-12(13,14)15)9-5-3-4-6-10(9)16/h3-6,11,17H,2,7-8H2,1H3
InChIKeyLMHHJJHSONURPX-UHFFFAOYSA-N
MW357.16 g/mol
LogP4.28
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine (PubChem CID 104992817) has the molecular formula C12H15F3IN and a molecular weight of 357.16 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
PubChem CID104992817
Molecular FormulaC12H15F3IN
Molecular Weight357.16 g/mol
Exact Mass357.02
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccccc1I
InChIInChI=1S/C12H15F3IN/c1-2-17-11(7-8-12(13,14)15)9-5-3-4-6-10(9)16/h3-6,11,17H,2,7-8H2,1H3
InChIKeyLMHHJJHSONURPX-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 54.28
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-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N-ethyl-1-(2-iodophenyl)decan-1-amine
CID 115831642
N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
CID 105033956
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828983
1-(5-chloro-2-methylphenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992924
1-(3-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024138
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine (CID 104992817) is N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine is CCNC(CCC(F)(F)F)c1ccccc1I.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine?
The InChIKey is LMHHJJHSONURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3IN/c1-2-17-11(7-8-12(13,14)15)9-5-3-4-6-10(9)16/h3-6,11,17H,2,7-8H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine has a molecular weight of 357.16 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine is sourced from PubChem (CID 104992817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).