2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine

C16H16BrFIN — CID 105020566

IUPAC2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1ccccc1I
InChIInChI=1S/C16H16BrFIN/c1-2-20-15(12-7-3-4-9-14(12)19)10-11-6-5-8-13(18)16(11)17/h3-9,15,20H,2,10H2,1H3
InChIKeyRLQQPAWZXZZBNV-UHFFFAOYSA-N
MW448.12 g/mol
LogP5.09
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine

2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine (PubChem CID 105020566) has the molecular formula C16H16BrFIN and a molecular weight of 448.12 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
PubChem CID105020566
Molecular FormulaC16H16BrFIN
Molecular Weight448.12 g/mol
Exact Mass446.95
IUPAC Name2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1ccccc1I
InChIInChI=1S/C16H16BrFIN/c1-2-20-15(12-7-3-4-9-14(12)19)10-11-6-5-8-13(18)16(11)17/h3-9,15,20H,2,10H2,1H3
InChIKeyRLQQPAWZXZZBNV-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.12
LogP ≤ 55.09
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

1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105020553
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine (CID 105020566) is 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine is CCNC(Cc1cccc(F)c1Br)c1ccccc1I.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine?
The InChIKey is RLQQPAWZXZZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFIN/c1-2-20-15(12-7-3-4-9-14(12)19)10-11-6-5-8-13(18)16(11)17/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine has a molecular weight of 448.12 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine is sourced from PubChem (CID 105020566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).