3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline

C16H23NO2 — CID 79904555

IUPAC3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
SMILESNc1cccc(OC2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C16H23NO2/c17-13-5-4-6-14(11-13)19-15-7-10-18-16(12-15)8-2-1-3-9-16/h4-6,11,15H,1-3,7-10,12,17H2
InChIKeyILYOIBATHBBIRV-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.53
Rot. Bonds2

About 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline

3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline (PubChem CID 79904555) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline.

Molecular Properties

Compound Name3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
PubChem CID79904555
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
SMILESNc1cccc(OC2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C16H23NO2/c17-13-5-4-6-14(11-13)19-15-7-10-18-16(12-15)8-2-1-3-9-16/h4-6,11,15H,1-3,7-10,12,17H2
InChIKeyILYOIBATHBBIRV-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
4,4,5,5-tetramethyl-2-[3-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 113252337
potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 79900555
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
3-fluoro-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 104831304
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 79900430

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The IUPAC name of 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline (CID 79904555) is 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline.
What is the SMILES notation for 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The canonical SMILES for 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline is Nc1cccc(OC2CCOC3(CCCCC3)C2)c1.
What is the InChIKey of 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The InChIKey is ILYOIBATHBBIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-13-5-4-6-14(11-13)19-15-7-10-18-16(12-15)8-2-1-3-9-16/h4-6,11,15H,1-3,7-10,12,17H2.
What are the key properties of 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline has a molecular weight of 261.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline is sourced from PubChem (CID 79904555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).