4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline

C15H20FNO3 — CID 114415938

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
SMILESCc1cc(OC2CCOC3(CCOC3)C2)c(F)cc1N
InChIInChI=1S/C15H20FNO3/c1-10-6-14(12(16)7-13(10)17)20-11-2-4-19-15(8-11)3-5-18-9-15/h6-7,11H,2-5,8-9,17H2,1H3
InChIKeyHGASRNWFLSHDMC-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.43
Rot. Bonds2

About 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline

4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline (PubChem CID 114415938) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
PubChem CID114415938
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
SMILESCc1cc(OC2CCOC3(CCOC3)C2)c(F)cc1N
InChIInChI=1S/C15H20FNO3/c1-10-6-14(12(16)7-13(10)17)20-11-2-4-19-15(8-11)3-5-18-9-15/h6-7,11H,2-5,8-9,17H2,1H3
InChIKeyHGASRNWFLSHDMC-UHFFFAOYSA-N
XLogP2.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-2,5-dimethylaniline
CID 79898685
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79905124
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
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-fluorobenzoic acid
CID 107690082
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
CID 79900742
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline (CID 114415938) is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline is Cc1cc(OC2CCOC3(CCOC3)C2)c(F)cc1N.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline?
The InChIKey is HGASRNWFLSHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-6-14(12(16)7-13(10)17)20-11-2-4-19-15(8-11)3-5-18-9-15/h6-7,11H,2-5,8-9,17H2,1H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline?
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline has a molecular weight of 281.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline is sourced from PubChem (CID 114415938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).