N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine

C15H14Br2IN — CID 43489657

IUPACN-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)c1ccccc1I
InChIInChI=1S/C15H14Br2IN/c1-2-19-15(11-5-3-4-6-14(11)18)12-9-10(16)7-8-13(12)17/h3-9,15,19H,2H2,1H3
InChIKeyNPTXYJYXXILPKW-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.52
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine (PubChem CID 43489657) has the molecular formula C15H14Br2IN and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
PubChem CID43489657
Molecular FormulaC15H14Br2IN
Molecular Weight495.00 g/mol
Exact Mass492.85
IUPAC NameN-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)c1ccccc1I
InChIInChI=1S/C15H14Br2IN/c1-2-19-15(11-5-3-4-6-14(11)18)12-9-10(16)7-8-13(12)17/h3-9,15,19H,2H2,1H3
InChIKeyNPTXYJYXXILPKW-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.52
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-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
N-[(3-chloro-4-iodophenyl)-(2,5-dibromophenyl)methyl]ethanamine
CID 103220094
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65101679
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
CID 115852796
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine (CID 43489657) is N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1Br)c1ccccc1I.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine?
The InChIKey is NPTXYJYXXILPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2IN/c1-2-19-15(11-5-3-4-6-14(11)18)12-9-10(16)7-8-13(12)17/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine has a molecular weight of 495.00 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 43489657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).