1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

C16H17BrINO — CID 43487317

IUPAC1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCCOc1ccc(Br)cc1C(NC)c1cccc(I)c1
InChIInChI=1S/C16H17BrINO/c1-3-20-15-8-7-12(17)10-14(15)16(19-2)11-5-4-6-13(18)9-11/h4-10,16,19H,3H2,1-2H3
InChIKeyYVBOGMVUSZTCAV-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.76
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 43487317) has the molecular formula C16H17BrINO and a molecular weight of 446.13 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID43487317
Molecular FormulaC16H17BrINO
Molecular Weight446.13 g/mol
Exact Mass444.95
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCCOc1ccc(Br)cc1C(NC)c1cccc(I)c1
InChIInChI=1S/C16H17BrINO/c1-3-20-15-8-7-12(17)10-14(15)16(19-2)11-5-4-6-13(18)9-11/h4-10,16,19H,3H2,1-2H3
InChIKeyYVBOGMVUSZTCAV-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.76
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

N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43485031
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
1-(4-bromo-2-methoxyphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022233
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 43487317) is 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is CCOc1ccc(Br)cc1C(NC)c1cccc(I)c1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is YVBOGMVUSZTCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrINO/c1-3-20-15-8-7-12(17)10-14(15)16(19-2)11-5-4-6-13(18)9-11/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 446.13 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43487317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).