2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine

C18H23NO2 — CID 43105318

IUPAC2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1cccc(OCC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)18(14(3)9-12)17(19)11-21-16-7-5-6-15(10-16)20-4/h5-10,17H,11,19H2,1-4H3
InChIKeyVTVGOEFKPQOKCF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine

2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 43105318) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID43105318
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1cccc(OCC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)18(14(3)9-12)17(19)11-21-16-7-5-6-15(10-16)20-4/h5-10,17H,11,19H2,1-4H3
InChIKeyVTVGOEFKPQOKCF-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

2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
2-(3-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16784253
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 43118068
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine
CID 117241389
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
N-iodyl-N-[(2S)-1-(3-methoxyphenoxy)propan-2-yl]-2,4,6-trimethylaniline
CID 141145265
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
CID 63986563
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine (CID 43105318) is 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine is COc1cccc(OCC(N)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is VTVGOEFKPQOKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-13(2)18(14(3)9-12)17(19)11-21-16-7-5-6-15(10-16)20-4/h5-10,17H,11,19H2,1-4H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)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 2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 43105318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).