2-(4-iodo-2,5-dimethoxyphenyl)ethanamine

C10H14INO2 — CID 10267191

IUPAC2-(4-iodo-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(CCN)c(OC)cc1I
InChIInChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKeyPQHQBRJAAZQXHL-UHFFFAOYSA-N
MW307.13 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine

2-(4-iodo-2,5-dimethoxyphenyl)ethanamine (PubChem CID 10267191) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodo-2,5-dimethoxyphenyl)ethanamine
PubChem CID10267191
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC Name2-(4-iodo-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(CCN)c(OC)cc1I
InChIInChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKeyPQHQBRJAAZQXHL-UHFFFAOYSA-N
XLogP1.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.81
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
4-Bromo-2,5-Dimethoxyphenethylamine
CID 98527
2,5-Dimethoxy-4-iodoamphetamine
CID 1229
(+-)-2,5-Dimethoxyamphetamine
CID 62787
2,5-Dimethoxy-4-methylphenethylamine
CID 135740
25I-NBOMe
CID 10251906
3-Methoxyphenethylamine
CID 74866
Desglymidodrine
CID 43260
4-Ethyl-2,5-dimethoxy-beta-phenethylamine
CID 24729233
2,5-Dimethoxyphenethylamine
CID 76632
2,5-Dimethoxy-4-ethylamphetamine
CID 27402

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine (CID 10267191) is 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine is COc1cc(CCN)c(OC)cc1I.
What is the InChIKey of 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is PQHQBRJAAZQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
2-(4-iodo-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 307.13 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 10267191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).