2-(2-tert-butylphenoxy)ethanamine;hydrochloride

C12H20ClNO — CID 50988059

IUPAC2-(2-tert-butylphenoxy)ethanamine;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCN.Cl
InChIInChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13;/h4-7H,8-9,13H2,1-3H3;1H
InChIKeyNBWVWZJUUYORRA-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-tert-butylphenoxy)ethanamine;hydrochloride

2-(2-tert-butylphenoxy)ethanamine;hydrochloride (PubChem CID 50988059) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)ethanamine;hydrochloride
PubChem CID50988059
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(2-tert-butylphenoxy)ethanamine;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCN.Cl
InChIInChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13;/h4-7H,8-9,13H2,1-3H3;1H
InChIKeyNBWVWZJUUYORRA-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-tert-butylphenoxy)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-tert-butylphenoxy)ethanamine;hydrochloride (CID 50988059) is 2-(2-tert-butylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-tert-butylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-tert-butylphenoxy)ethanamine;hydrochloride is CC(C)(C)c1ccccc1OCCN.Cl.
What is the InChIKey of 2-(2-tert-butylphenoxy)ethanamine;hydrochloride?
The InChIKey is NBWVWZJUUYORRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13;/h4-7H,8-9,13H2,1-3H3;1H.
What are the key properties of 2-(2-tert-butylphenoxy)ethanamine;hydrochloride?
2-(2-tert-butylphenoxy)ethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 50988059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).