1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine

C18H23NO2 — CID 43118068

IUPAC1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCOc1cccc(C(N)COc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)14(3)18(9-12)21-11-17(19)15-6-5-7-16(10-15)20-4/h5-10,17H,11,19H2,1-4H3
InChIKeyUOMVBQOXHWGGRH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine

1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine (PubChem CID 43118068) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
PubChem CID43118068
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCOc1cccc(C(N)COc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)14(3)18(9-12)21-11-17(19)15-6-5-7-16(10-15)20-4/h5-10,17H,11,19H2,1-4H3
InChIKeyUOMVBQOXHWGGRH-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine (CID 43118068) is 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine is COc1cccc(C(N)COc2cc(C)cc(C)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine?
The InChIKey is UOMVBQOXHWGGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-13(2)14(3)18(9-12)21-11-17(19)15-6-5-7-16(10-15)20-4/h5-10,17H,11,19H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine?
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine is sourced from PubChem (CID 43118068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).