2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine

C17H21NO — CID 62454029

IUPAC2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
SMILESCNCC(Oc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13-8-7-11-16(14(13)2)19-17(12-18-3)15-9-5-4-6-10-15/h4-11,17-18H,12H2,1-3H3
InChIKeyILWKOMSLVWGNEK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine

2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine (PubChem CID 62454029) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
PubChem CID62454029
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
SMILESCNCC(Oc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13-8-7-11-16(14(13)2)19-17(12-18-3)15-9-5-4-6-10-15/h4-11,17-18H,12H2,1-3H3
InChIKeyILWKOMSLVWGNEK-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride
CID 164625435
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 146156685

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine (CID 62454029) is 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine is CNCC(Oc1cccc(C)c1C)c1ccccc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine?
The InChIKey is ILWKOMSLVWGNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-8-7-11-16(14(13)2)19-17(12-18-3)15-9-5-4-6-10-15/h4-11,17-18H,12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine?
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 62454029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).