2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine

C16H16ClFIN — CID 102622580

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C16H16ClFIN/c1-2-20-16(11-3-6-14(19)7-4-11)10-12-9-13(18)5-8-15(12)17/h3-9,16,20H,2,10H2,1H3
InChIKeyJTFZBBUXKOGJKR-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.98
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine (PubChem CID 102622580) has the molecular formula C16H16ClFIN and a molecular weight of 403.67 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
PubChem CID102622580
Molecular FormulaC16H16ClFIN
Molecular Weight403.67 g/mol
Exact Mass403.00
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C16H16ClFIN/c1-2-20-16(11-3-6-14(19)7-4-11)10-12-9-13(18)5-8-15(12)17/h3-9,16,20H,2,10H2,1H3
InChIKeyJTFZBBUXKOGJKR-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.98
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-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 102622794
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine (CID 102622580) is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine is CCNC(Cc1cc(F)ccc1Cl)c1ccc(I)cc1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The InChIKey is JTFZBBUXKOGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFIN/c1-2-20-16(11-3-6-14(19)7-4-11)10-12-9-13(18)5-8-15(12)17/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine has a molecular weight of 403.67 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 102622580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).