2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide

C10H16INO2 — CID 46741035

IUPAC2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
SMILESCOc1ccc(CCN)cc1OC.I
InChIInChI=1S/C10H15NO2.HI/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-4,7H,5-6,11H2,1-2H3;1H
InChIKeyWUGYGUZIWWSYGM-UHFFFAOYSA-N
MW309.15 g/mol
LogP1.82
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide (PubChem CID 46741035) has the molecular formula C10H16INO2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
PubChem CID46741035
Molecular FormulaC10H16INO2
Molecular Weight309.15 g/mol
Exact Mass309.02
IUPAC Name2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
SMILESCOc1ccc(CCN)cc1OC.I
InChIInChI=1S/C10H15NO2.HI/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-4,7H,5-6,11H2,1-2H3;1H
InChIKeyWUGYGUZIWWSYGM-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 51.82
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

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide (CID 46741035) is 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide is COc1ccc(CCN)cc1OC.I.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide?
The InChIKey is WUGYGUZIWWSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.HI/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-4,7H,5-6,11H2,1-2H3;1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide?
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide has a molecular weight of 309.15 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide is sourced from PubChem (CID 46741035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).