2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline

C15H21NO4 — CID 79904832

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
SMILESCOc1ccc(OC2CCOC3(CCOC3)C2)c(N)c1
InChIInChI=1S/C15H21NO4/c1-17-11-2-3-14(13(16)8-11)20-12-4-6-19-15(9-12)5-7-18-10-15/h2-3,8,12H,4-7,9-10,16H2,1H3
InChIKeyZWLTXPSJPSJEDZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.99
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline

2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline (PubChem CID 79904832) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
PubChem CID79904832
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
SMILESCOc1ccc(OC2CCOC3(CCOC3)C2)c(N)c1
InChIInChI=1S/C15H21NO4/c1-17-11-2-3-14(13(16)8-11)20-12-4-6-19-15(9-12)5-7-18-10-15/h2-3,8,12H,4-7,9-10,16H2,1H3
InChIKeyZWLTXPSJPSJEDZ-UHFFFAOYSA-N
XLogP1.99
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
3-amino-4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)benzonitrile
CID 79898675
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline (CID 79904832) is 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline is COc1ccc(OC2CCOC3(CCOC3)C2)c(N)c1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline?
The InChIKey is ZWLTXPSJPSJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-17-11-2-3-14(13(16)8-11)20-12-4-6-19-15(9-12)5-7-18-10-15/h2-3,8,12H,4-7,9-10,16H2,1H3.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline?
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline has a molecular weight of 279.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline is sourced from PubChem (CID 79904832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).