2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride

C17H22ClNO2 — CID 164628143

IUPAC2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(C(N)COc2c(C)cccc2C)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-12-5-4-6-13(2)17(12)20-11-16(18)14-7-9-15(19-3)10-8-14;/h4-10,16H,11,18H2,1-3H3;1H
InChIKeyIKKMLYREACVTCX-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.81
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride

2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 164628143) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride
PubChem CID164628143
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(C(N)COc2c(C)cccc2C)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-12-5-4-6-13(2)17(12)20-11-16(18)14-7-9-15(19-3)10-8-14;/h4-10,16H,11,18H2,1-3H3;1H
InChIKeyIKKMLYREACVTCX-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride (CID 164628143) is 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(C(N)COc2c(C)cccc2C)cc1.Cl.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is IKKMLYREACVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-12-5-4-6-13(2)17(12)20-11-16(18)14-7-9-15(19-3)10-8-14;/h4-10,16H,11,18H2,1-3H3;1H.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride?
2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 164628143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).