2-(4-hydroxyphenyl)ethylazanium chloride

C8H12ClNO — CID 10965017

IUPAC2-(4-hydroxyphenyl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCc1ccc(O)cc1
InChIInChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H
InChIKeyRNISDHSYKZAWOK-UHFFFAOYSA-N
MW173.64 g/mol
LogP-2.82
Rot. Bonds2

About 2-(4-hydroxyphenyl)ethylazanium chloride

2-(4-hydroxyphenyl)ethylazanium chloride (PubChem CID 10965017) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethylazanium chloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethylazanium chloride
PubChem CID10965017
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name2-(4-hydroxyphenyl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCc1ccc(O)cc1
InChIInChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H
InChIKeyRNISDHSYKZAWOK-UHFFFAOYSA-N
XLogP-2.82
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 5-2.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethylazanium chloride?
The IUPAC name of 2-(4-hydroxyphenyl)ethylazanium chloride (CID 10965017) is 2-(4-hydroxyphenyl)ethylazanium chloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethylazanium chloride?
The canonical SMILES for 2-(4-hydroxyphenyl)ethylazanium chloride is [Cl-].[NH3+]CCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethylazanium chloride?
The InChIKey is RNISDHSYKZAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H.
What are the key properties of 2-(4-hydroxyphenyl)ethylazanium chloride?
2-(4-hydroxyphenyl)ethylazanium chloride has a molecular weight of 173.64 g/mol, XLogP of -2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethylazanium chloride is sourced from PubChem (CID 10965017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).