4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline

C15H20FNO2 — CID 102896120

IUPAC4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
SMILESNc1ccc(F)cc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H20FNO2/c16-11-3-4-13(17)14(9-11)18-10-12-5-8-15(19-12)6-1-2-7-15/h3-4,9,12H,1-2,5-8,10,17H2
InChIKeyBHOKGXWKZNUTCQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.28
Rot. Bonds3

About 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline

4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline (PubChem CID 102896120) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
PubChem CID102896120
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
SMILESNc1ccc(F)cc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H20FNO2/c16-11-3-4-13(17)14(9-11)18-10-12-5-8-15(19-12)6-1-2-7-15/h3-4,9,12H,1-2,5-8,10,17H2
InChIKeyBHOKGXWKZNUTCQ-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.28
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-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
4-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896203
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
[5-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]boronic acid
CID 102898830
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)aniline
CID 102898429

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
The IUPAC name of 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline (CID 102896120) is 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
The canonical SMILES for 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline is Nc1ccc(F)cc1OCC1CCC2(CCCC2)O1.
What is the InChIKey of 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
The InChIKey is BHOKGXWKZNUTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-11-3-4-13(17)14(9-11)18-10-12-5-8-15(19-12)6-1-2-7-15/h3-4,9,12H,1-2,5-8,10,17H2.
What are the key properties of 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline has a molecular weight of 265.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline is sourced from PubChem (CID 102896120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).