2-(3-ethyl-4-hydroxyphenyl)ethylazanium

C10H16NO+ — CID 44629653

IUPAC2-(3-ethyl-4-hydroxyphenyl)ethylazanium
SMILESCCc1cc(CC[NH3+])ccc1O
InChIInChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3/p+1
InChIKeyLDAFQVRTSOETPE-UHFFFAOYSA-O
MW166.24 g/mol
LogP0.74
Rot. Bonds3

About 2-(3-ethyl-4-hydroxyphenyl)ethylazanium

2-(3-ethyl-4-hydroxyphenyl)ethylazanium (PubChem CID 44629653) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-(3-ethyl-4-hydroxyphenyl)ethylazanium.

Molecular Properties

Compound Name2-(3-ethyl-4-hydroxyphenyl)ethylazanium
PubChem CID44629653
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name2-(3-ethyl-4-hydroxyphenyl)ethylazanium
SMILESCCc1cc(CC[NH3+])ccc1O
InChIInChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3/p+1
InChIKeyLDAFQVRTSOETPE-UHFFFAOYSA-O
XLogP0.74
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-Methyltyramine
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CID 102484
Hordenine
CID 68313
(+-)-Pholedrine
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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-hydroxyphenyl)ethylazanium?
The IUPAC name of 2-(3-ethyl-4-hydroxyphenyl)ethylazanium (CID 44629653) is 2-(3-ethyl-4-hydroxyphenyl)ethylazanium.
What is the SMILES notation for 2-(3-ethyl-4-hydroxyphenyl)ethylazanium?
The canonical SMILES for 2-(3-ethyl-4-hydroxyphenyl)ethylazanium is CCc1cc(CC[NH3+])ccc1O.
What is the InChIKey of 2-(3-ethyl-4-hydroxyphenyl)ethylazanium?
The InChIKey is LDAFQVRTSOETPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3/p+1.
What are the key properties of 2-(3-ethyl-4-hydroxyphenyl)ethylazanium?
2-(3-ethyl-4-hydroxyphenyl)ethylazanium has a molecular weight of 166.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-hydroxyphenyl)ethylazanium is sourced from PubChem (CID 44629653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).