2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine

C15H15BrINO — CID 115816754

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(I)cc1
InChIInChI=1S/C15H15BrINO/c1-19-15-7-4-12(16)8-11(15)9-14(18)10-2-5-13(17)6-3-10/h2-8,14H,9,18H2,1H3
InChIKeyHGZZFZQCMZMGIR-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.30
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine (PubChem CID 115816754) has the molecular formula C15H15BrINO and a molecular weight of 432.10 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
PubChem CID115816754
Molecular FormulaC15H15BrINO
Molecular Weight432.10 g/mol
Exact Mass430.94
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(I)cc1
InChIInChI=1S/C15H15BrINO/c1-19-15-7-4-12(16)8-11(15)9-14(18)10-2-5-13(17)6-3-10/h2-8,14H,9,18H2,1H3
InChIKeyHGZZFZQCMZMGIR-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
CID 105290205
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine (CID 115816754) is 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine is COc1ccc(Br)cc1CC(N)c1ccc(I)cc1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine?
The InChIKey is HGZZFZQCMZMGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrINO/c1-19-15-7-4-12(16)8-11(15)9-14(18)10-2-5-13(17)6-3-10/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine has a molecular weight of 432.10 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115816754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).