2,5-Dimethoxy-4-iodoamphetamine

C11H16INO2 — CID 1229

IUPAC1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
SMILESCC(CC1=CC(=C(C=C1OC)I)OC)N
InChIInChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKeyBGMZUEKZENQUJY-UHFFFAOYSA-N
MW321.15 g/mol
LogP2.50
Rot. Bonds4

About 2,5-Dimethoxy-4-iodoamphetamine

2,5-Dimethoxy-4-iodoamphetamine (PubChem CID 1229) has the molecular formula C11H16INO2 and a molecular weight of 321.15 g/mol. Its IUPAC name is 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2,5-Dimethoxy-4-iodoamphetamine
PubChem CID1229
Molecular FormulaC11H16INO2
Molecular Weight321.15 g/mol
Exact Mass321.02
IUPAC Name1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
SMILESCC(CC1=CC(=C(C=C1OC)I)OC)N
InChIInChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKeyBGMZUEKZENQUJY-UHFFFAOYSA-N
XLogP2.50
TPSA44.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methoxamine
CID 6082
2,5-Dimethoxy-4-Methylamphetamine
CID 85875
2,5-Dimethoxy-4-bromoamphetamine
CID 62065
(+-)-2,5-Dimethoxyamphetamine
CID 62787
2,5-Dimethoxy-4-iodophenethylamine
CID 10267191
Methoxamine Hydrochloride
CID 57333099
Methoxyphenamine
CID 4117
2,5-Dimethoxy-4-methylphenethylamine
CID 135740
2,4,5-Trimethoxyamphetamine
CID 31014
25I-NBOMe
CID 10251906
3-Methoxyphenethylamine
CID 74866
Desglymidodrine
CID 43260

Frequently Asked Questions

What is the IUPAC name of 2,5-Dimethoxy-4-iodoamphetamine?
The IUPAC name of 2,5-Dimethoxy-4-iodoamphetamine (CID 1229) is 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2,5-Dimethoxy-4-iodoamphetamine?
The canonical SMILES for 2,5-Dimethoxy-4-iodoamphetamine is CC(CC1=CC(=C(C=C1OC)I)OC)N.
What is the InChIKey of 2,5-Dimethoxy-4-iodoamphetamine?
The InChIKey is BGMZUEKZENQUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3.
What are the key properties of 2,5-Dimethoxy-4-iodoamphetamine?
2,5-Dimethoxy-4-iodoamphetamine has a molecular weight of 321.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-Dimethoxy-4-iodoamphetamine is sourced from PubChem (CID 1229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).