2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine

C19H25NO — CID 63476117

IUPAC2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(COc1c(C)cccc1C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13-9-10-17(11-16(13)4)18(20-5)12-21-19-14(2)7-6-8-15(19)3/h6-11,18,20H,12H2,1-5H3
InChIKeyQEGZHDYPBOQNCI-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.26
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine

2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 63476117) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID63476117
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(COc1c(C)cccc1C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13-9-10-17(11-16(13)4)18(20-5)12-21-19-14(2)7-6-8-15(19)3/h6-11,18,20H,12H2,1-5H3
InChIKeyQEGZHDYPBOQNCI-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(3,3-dimethylbutoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66232695
2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine
CID 82045161
2-(cyclopentylmethoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66321330
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63469119
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine
CID 63474755
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene
CID 101142620

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine (CID 63476117) is 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine is CNC(COc1c(C)cccc1C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is QEGZHDYPBOQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-9-10-17(11-16(13)4)18(20-5)12-21-19-14(2)7-6-8-15(19)3/h6-11,18,20H,12H2,1-5H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine?
2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.26, 5 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-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63476117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).