2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium

C10H16NO3+ — CID 86311037

IUPAC2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
SMILESCOc1cc(CC[NH3+])cc(O)c1OC
InChIInChI=1S/C10H15NO3/c1-13-9-6-7(3-4-11)5-8(12)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3/p+1
InChIKeyPDKPJPTZKPCMKR-UHFFFAOYSA-O
MW198.24 g/mol
LogP0.19
Rot. Bonds4

About 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium

2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium (PubChem CID 86311037) has the molecular formula C10H16NO3+ and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium.

Molecular Properties

Compound Name2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
PubChem CID86311037
Molecular FormulaC10H16NO3+
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
SMILESCOc1cc(CC[NH3+])cc(O)c1OC
InChIInChI=1S/C10H15NO3/c1-13-9-6-7(3-4-11)5-8(12)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3/p+1
InChIKeyPDKPJPTZKPCMKR-UHFFFAOYSA-O
XLogP0.19
TPSA66.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
4-(3-hydroxy-4,5-dimethoxyphenyl)butan-2-one
CID 86067899
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide
CID 15341356
5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol
CID 117323946
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
CID 172870436

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium?
The IUPAC name of 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium (CID 86311037) is 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium.
What is the SMILES notation for 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium?
The canonical SMILES for 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium is COc1cc(CC[NH3+])cc(O)c1OC.
What is the InChIKey of 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium?
The InChIKey is PDKPJPTZKPCMKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO3/c1-13-9-6-7(3-4-11)5-8(12)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3/p+1.
What are the key properties of 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium?
2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium has a molecular weight of 198.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium is sourced from PubChem (CID 86311037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).