[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol

C15H21NO3 — CID 123409924

IUPAC[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
SMILESNc1ccccc1C1OC2(CCCCC2)OC1CO
InChIInChI=1S/C15H21NO3/c16-12-7-3-2-6-11(12)14-13(10-17)18-15(19-14)8-4-1-5-9-15/h2-3,6-7,13-14,17H,1,4-5,8-10,16H2
InChIKeyRWVPSIQUZPDZIY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds2

About [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol

[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol (PubChem CID 123409924) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol.

Molecular Properties

Compound Name[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
PubChem CID123409924
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
SMILESNc1ccccc1C1OC2(CCCCC2)OC1CO
InChIInChI=1S/C15H21NO3/c16-12-7-3-2-6-11(12)14-13(10-17)18-15(19-14)8-4-1-5-9-15/h2-3,6-7,13-14,17H,1,4-5,8-10,16H2
InChIKeyRWVPSIQUZPDZIY-UHFFFAOYSA-N
XLogP2.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol?
The IUPAC name of [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol (CID 123409924) is [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol.
What is the SMILES notation for [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol?
The canonical SMILES for [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol is Nc1ccccc1C1OC2(CCCCC2)OC1CO.
What is the InChIKey of [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol?
The InChIKey is RWVPSIQUZPDZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-12-7-3-2-6-11(12)14-13(10-17)18-15(19-14)8-4-1-5-9-15/h2-3,6-7,13-14,17H,1,4-5,8-10,16H2.
What are the key properties of [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol?
[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol has a molecular weight of 263.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol is sourced from PubChem (CID 123409924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).