5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline

C18H23NO3 — CID 82097295

IUPAC5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
SMILESCOc1ccccc1OCCCCOc1ccc(C)c(N)c1
InChIInChI=1S/C18H23NO3/c1-14-9-10-15(13-16(14)19)21-11-5-6-12-22-18-8-4-3-7-17(18)20-2/h3-4,7-10,13H,5-6,11-12,19H2,1-2H3
InChIKeyFWZPKLCAPQVGBB-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.82
Rot. Bonds8

About 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline

5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline (PubChem CID 82097295) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
PubChem CID82097295
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
SMILESCOc1ccccc1OCCCCOc1ccc(C)c(N)c1
InChIInChI=1S/C18H23NO3/c1-14-9-10-15(13-16(14)19)21-11-5-6-12-22-18-8-4-3-7-17(18)20-2/h3-4,7-10,13H,5-6,11-12,19H2,1-2H3
InChIKeyFWZPKLCAPQVGBB-UHFFFAOYSA-N
XLogP3.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
CID 39427302
5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
CID 82097177
2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
CID 82097286
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline?
The IUPAC name of 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline (CID 82097295) is 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline.
What is the SMILES notation for 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline?
The canonical SMILES for 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline is COc1ccccc1OCCCCOc1ccc(C)c(N)c1.
What is the InChIKey of 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline?
The InChIKey is FWZPKLCAPQVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14-9-10-15(13-16(14)19)21-11-5-6-12-22-18-8-4-3-7-17(18)20-2/h3-4,7-10,13H,5-6,11-12,19H2,1-2H3.
What are the key properties of 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline?
5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline has a molecular weight of 301.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline is sourced from PubChem (CID 82097295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).