1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine

C18H23NO — CID 43285276

IUPAC1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Oc1c(C)cccc1C
InChIInChI=1S/C18H23NO/c1-5-19-15(4)16-11-6-7-12-17(16)20-18-13(2)9-8-10-14(18)3/h6-12,15,19H,5H2,1-4H3
InChIKeyRYIIQFVHWLVVEB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.77
Rot. Bonds5

About 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine

1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine (PubChem CID 43285276) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
PubChem CID43285276
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Oc1c(C)cccc1C
InChIInChI=1S/C18H23NO/c1-5-19-15(4)16-11-6-7-12-17(16)20-18-13(2)9-8-10-14(18)3/h6-12,15,19H,5H2,1-4H3
InChIKeyRYIIQFVHWLVVEB-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
CID 43285624
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine (CID 43285276) is 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1Oc1c(C)cccc1C.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine?
The InChIKey is RYIIQFVHWLVVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19-15(4)16-11-6-7-12-17(16)20-18-13(2)9-8-10-14(18)3/h6-12,15,19H,5H2,1-4H3.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine?
1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 43285276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).