1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine

C17H21NO — CID 43285451

IUPAC1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1Oc1cc(C)ccc1C
InChIInChI=1S/C17H21NO/c1-12-9-10-13(2)17(11-12)19-16-8-6-5-7-15(16)14(3)18-4/h5-11,14,18H,1-4H3
InChIKeyFUDZBXBZJMHVCO-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.38
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine

1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine (PubChem CID 43285451) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
PubChem CID43285451
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1Oc1cc(C)ccc1C
InChIInChI=1S/C17H21NO/c1-12-9-10-13(2)17(11-12)19-16-8-6-5-7-15(16)14(3)18-4/h5-11,14,18H,1-4H3
InChIKeyFUDZBXBZJMHVCO-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 55244244
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine (CID 43285451) is 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccccc1Oc1cc(C)ccc1C.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is FUDZBXBZJMHVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-10-13(2)17(11-12)19-16-8-6-5-7-15(16)14(3)18-4/h5-11,14,18H,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine?
1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).