2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride

C12H20ClNO — CID 2877055

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride
SMILESCc1ccc(C(C)C)c(OCCN)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13;/h4-5,8-9H,6-7,13H2,1-3H3;1H
InChIKeyHORFDWRPGLWGPL-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.88
Rot. Bonds4

About 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride

2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride (PubChem CID 2877055) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride
PubChem CID2877055
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride
SMILESCc1ccc(C(C)C)c(OCCN)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13;/h4-5,8-9H,6-7,13H2,1-3H3;1H
InChIKeyHORFDWRPGLWGPL-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Carvacryl ethyl ether
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(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
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Arlitene
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(S)-Mexiletine
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride (CID 2877055) is 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride is Cc1ccc(C(C)C)c(OCCN)c1.Cl.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride?
The InChIKey is HORFDWRPGLWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13;/h4-5,8-9H,6-7,13H2,1-3H3;1H.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride?
2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 2877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).