2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride

C20H22ClNO — CID 164621825

IUPAC2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride
SMILESCc1cccc(C)c1OCC(N)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-14-6-5-7-15(2)20(14)22-13-19(21)18-11-10-16-8-3-4-9-17(16)12-18;/h3-12,19H,13,21H2,1-2H3;1H
InChIKeyWEKBZVUQZMGMNC-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.96
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride

2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride (PubChem CID 164621825) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride
PubChem CID164621825
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride
SMILESCc1cccc(C)c1OCC(N)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-14-6-5-7-15(2)20(14)22-13-19(21)18-11-10-16-8-3-4-9-17(16)12-18;/h3-12,19H,13,21H2,1-2H3;1H
InChIKeyWEKBZVUQZMGMNC-UHFFFAOYSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride (CID 164621825) is 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride is Cc1cccc(C)c1OCC(N)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride?
The InChIKey is WEKBZVUQZMGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-14-6-5-7-15(2)20(14)22-13-19(21)18-11-10-16-8-3-4-9-17(16)12-18;/h3-12,19H,13,21H2,1-2H3;1H.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride?
2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 164621825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).