1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine

C18H23NO2 — CID 63986563

IUPAC1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
SMILESCOCc1cccc(OCC(N)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H23NO2/c1-13-7-8-17(14(2)9-13)18(19)12-21-16-6-4-5-15(10-16)11-20-3/h4-10,18H,11-12,19H2,1-3H3
InChIKeyQJDSIWQLFLCAQA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.53
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine

1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine (PubChem CID 63986563) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
PubChem CID63986563
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
SMILESCOCc1cccc(OCC(N)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H23NO2/c1-13-7-8-17(14(2)9-13)18(19)12-21-16-6-4-5-15(10-16)11-20-3/h4-10,18H,11-12,19H2,1-3H3
InChIKeyQJDSIWQLFLCAQA-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline
CID 61229652
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine (CID 63986563) is 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine is COCc1cccc(OCC(N)c2ccc(C)cc2C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine?
The InChIKey is QJDSIWQLFLCAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-7-8-17(14(2)9-13)18(19)12-21-16-6-4-5-15(10-16)11-20-3/h4-10,18H,11-12,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine?
1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine is sourced from PubChem (CID 63986563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).