2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride

C19H26ClNO2 — CID 162325011

IUPAC2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride
SMILESCOCCNC(COc1cc(C)cc(C)c1)c1ccccc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-15-11-16(2)13-18(12-15)22-14-19(20-9-10-21-3)17-7-5-4-6-8-17;/h4-8,11-13,19-20H,9-10,14H2,1-3H3;1H
InChIKeyMKINQSWPIFIKHZ-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.08
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride

2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride (PubChem CID 162325011) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride
PubChem CID162325011
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride
SMILESCOCCNC(COc1cc(C)cc(C)c1)c1ccccc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-15-11-16(2)13-18(12-15)22-14-19(20-9-10-21-3)17-7-5-4-6-8-17;/h4-8,11-13,19-20H,9-10,14H2,1-3H3;1H
InChIKeyMKINQSWPIFIKHZ-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride (CID 162325011) is 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride is COCCNC(COc1cc(C)cc(C)c1)c1ccccc1.Cl.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride?
The InChIKey is MKINQSWPIFIKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-15-11-16(2)13-18(12-15)22-14-19(20-9-10-21-3)17-7-5-4-6-8-17;/h4-8,11-13,19-20H,9-10,14H2,1-3H3;1H.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride?
2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 162325011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).