2-(3,4,5-trimethoxyphenyl)ethylazanium

C11H18NO3+ — CID 6918993

IUPAC2-(3,4,5-trimethoxyphenyl)ethylazanium
SMILESCOc1cc(CC[NH3+])cc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3/p+1
InChIKeyRHCSKNNOAZULRK-UHFFFAOYSA-O
MW212.27 g/mol
LogP0.50
Rot. Bonds5

About 2-(3,4,5-trimethoxyphenyl)ethylazanium

2-(3,4,5-trimethoxyphenyl)ethylazanium (PubChem CID 6918993) has the molecular formula C11H18NO3+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)ethylazanium.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)ethylazanium
PubChem CID6918993
Molecular FormulaC11H18NO3+
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-(3,4,5-trimethoxyphenyl)ethylazanium
SMILESCOc1cc(CC[NH3+])cc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3/p+1
InChIKeyRHCSKNNOAZULRK-UHFFFAOYSA-O
XLogP0.50
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
CID 86311037
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
[2-(3,4,5-trimethoxyphenyl)ethylamino]methanethiol
CID 115228320
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
1-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,5-dihydropyrrole;hydrochloride
CID 3046364
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
5-(10-bromodecyl)-1,2,3-trimethoxybenzene
CID 156501832
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)ethylazanium?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)ethylazanium (CID 6918993) is 2-(3,4,5-trimethoxyphenyl)ethylazanium.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)ethylazanium?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)ethylazanium is COc1cc(CC[NH3+])cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)ethylazanium?
The InChIKey is RHCSKNNOAZULRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3/p+1.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)ethylazanium?
2-(3,4,5-trimethoxyphenyl)ethylazanium has a molecular weight of 212.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)ethylazanium is sourced from PubChem (CID 6918993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).