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

C16H19NO — CID 16790912

IUPAC2-(2,3-dimethylphenoxy)-1-phenylethanamine
SMILESCc1cccc(OCC(N)c2ccccc2)c1C
InChIInChI=1S/C16H19NO/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
InChIKeyVNRGOSPXCRJKEI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.38
Rot. Bonds4

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

2-(2,3-dimethylphenoxy)-1-phenylethanamine (PubChem CID 16790912) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-phenylethanamine
PubChem CID16790912
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(2,3-dimethylphenoxy)-1-phenylethanamine
SMILESCc1cccc(OCC(N)c2ccccc2)c1C
InChIInChI=1S/C16H19NO/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
InChIKeyVNRGOSPXCRJKEI-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.38
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?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-phenylethanamine (CID 16790912) is 2-(2,3-dimethylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-phenylethanamine is Cc1cccc(OCC(N)c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-phenylethanamine?
The InChIKey is VNRGOSPXCRJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/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.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-phenylethanamine?
2-(2,3-dimethylphenoxy)-1-phenylethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.38, 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 is sourced from PubChem (CID 16790912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).