2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine

C15H15BrIN — CID 143374136

IUPAC2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNCC(c1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H15BrIN/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,15,18H,10H2,1H3
InChIKeyYNTJLNZLXSXNQK-UHFFFAOYSA-N
MW416.10 g/mol
LogP4.41
Rot. Bonds4

About 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine

2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 143374136) has the molecular formula C15H15BrIN and a molecular weight of 416.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID143374136
Molecular FormulaC15H15BrIN
Molecular Weight416.10 g/mol
Exact Mass414.94
IUPAC Name2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNCC(c1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H15BrIN/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,15,18H,10H2,1H3
InChIKeyYNTJLNZLXSXNQK-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.10
LogP ≤ 54.41
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

(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine
CID 162405243
(1S,2S)-2-(4-bromophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118675731
N-methyl-2,2-dipyridin-4-ylethanamine
CID 116824958
CID 173172073
CID 173172073
[1-(4-bromophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105192389
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43482225

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 143374136) is 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine is CNCC(c1ccc(Br)cc1)c1ccc(I)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is YNTJLNZLXSXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrIN/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine?
2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine has a molecular weight of 416.10 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 143374136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).