4-[10-(2-aminophenoxy)decoxy]-2-methylaniline

C23H34N2O2 — CID 146356223

IUPAC4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
SMILESCc1cc(OCCCCCCCCCCOc2ccccc2N)ccc1N
InChIInChI=1S/C23H34N2O2/c1-19-18-20(14-15-21(19)24)26-16-10-6-4-2-3-5-7-11-17-27-23-13-9-8-12-22(23)25/h8-9,12-15,18H,2-7,10-11,16-17,24-25H2,1H3
InChIKeyXJXFPEQDXLMVHZ-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.74
Rot. Bonds13

About 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline

4-[10-(2-aminophenoxy)decoxy]-2-methylaniline (PubChem CID 146356223) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
PubChem CID146356223
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
SMILESCc1cc(OCCCCCCCCCCOc2ccccc2N)ccc1N
InChIInChI=1S/C23H34N2O2/c1-19-18-20(14-15-21(19)24)26-16-10-6-4-2-3-5-7-11-17-27-23-13-9-8-12-22(23)25/h8-9,12-15,18H,2-7,10-11,16-17,24-25H2,1H3
InChIKeyXJXFPEQDXLMVHZ-UHFFFAOYSA-N
XLogP5.74
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.74
H-Bond Donors ≤ 52
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

2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
2-methyl-4-nonoxyaniline
CID 43128997
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
CID 39452146
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
CID 82097295
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-octoxyaniline
CID 14747235

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline?
The IUPAC name of 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline (CID 146356223) is 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline.
What is the SMILES notation for 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline?
The canonical SMILES for 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline is Cc1cc(OCCCCCCCCCCOc2ccccc2N)ccc1N.
What is the InChIKey of 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline?
The InChIKey is XJXFPEQDXLMVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-19-18-20(14-15-21(19)24)26-16-10-6-4-2-3-5-7-11-17-27-23-13-9-8-12-22(23)25/h8-9,12-15,18H,2-7,10-11,16-17,24-25H2,1H3.
What are the key properties of 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline?
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline has a molecular weight of 370.54 g/mol, XLogP of 5.74, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-aminophenoxy)decoxy]-2-methylaniline is sourced from PubChem (CID 146356223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).