1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

C11H16INO2 — CID 1229

IUPAC1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)cc1I
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
MW321.16 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 1229) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID1229
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC Name1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)cc1I
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
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.20
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 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine (CID 1229) is 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine is COc1cc(CC(C)N)c(OC)cc1I.
What is the InChIKey of 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine?
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 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine?
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 321.16 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 1229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).