2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine

C18H23NO — CID 43093894

IUPAC2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)COc2c(C)cccc2C)c1
InChIInChI=1S/C18H23NO/c1-12-8-9-13(2)16(10-12)17(19)11-20-18-14(3)6-5-7-15(18)4/h5-10,17H,11,19H2,1-4H3
InChIKeyQLORZASENBACJJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.00
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine

2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 43093894) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID43093894
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)COc2c(C)cccc2C)c1
InChIInChI=1S/C18H23NO/c1-12-8-9-13(2)16(10-12)17(19)11-20-18-14(3)6-5-7-15(18)4/h5-10,17H,11,19H2,1-4H3
InChIKeyQLORZASENBACJJ-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(2,3-dimethylphenoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43101312
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 30429316
2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine
CID 62141393
1-(2-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 61220878
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine (CID 43093894) is 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)COc2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is QLORZASENBACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-8-9-13(2)16(10-12)17(19)11-20-18-14(3)6-5-7-15(18)4/h5-10,17H,11,19H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine?
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.00, 4 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-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 43093894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).