2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride

C16H20ClNO — CID 162333929

IUPAC2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1cccc(OCC(N)c2ccccc2)c1C.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-7-6-10-16(13(12)2)18-11-15(17)14-8-4-3-5-9-14;/h3-10,15H,11,17H2,1-2H3;1H
InChIKeyAWHSFABOEXEBAO-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.80
Rot. Bonds4

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

2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride (PubChem CID 162333929) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride
PubChem CID162333929
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1cccc(OCC(N)c2ccccc2)c1C.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-7-6-10-16(13(12)2)18-11-15(17)14-8-4-3-5-9-14;/h3-10,15H,11,17H2,1-2H3;1H
InChIKeyAWHSFABOEXEBAO-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride (CID 162333929) is 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride is Cc1cccc(OCC(N)c2ccccc2)c1C.Cl.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
The InChIKey is AWHSFABOEXEBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-12-7-6-10-16(13(12)2)18-11-15(17)14-8-4-3-5-9-14;/h3-10,15H,11,17H2,1-2H3;1H.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride?
2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 162333929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).