5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline

C16H22FNO2 — CID 102896169

IUPAC5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
SMILESNc1cc(F)ccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H22FNO2/c17-12-4-5-15(14(18)10-12)19-11-13-6-9-16(20-13)7-2-1-3-8-16/h4-5,10,13H,1-3,6-9,11,18H2
InChIKeyKHBSLGZVQDZKDN-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.67
Rot. Bonds3

About 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline

5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline (PubChem CID 102896169) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
PubChem CID102896169
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
SMILESNc1cc(F)ccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H22FNO2/c17-12-4-5-15(14(18)10-12)19-11-13-6-9-16(20-13)7-2-1-3-8-16/h4-5,10,13H,1-3,6-9,11,18H2
InChIKeyKHBSLGZVQDZKDN-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.67
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
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116
[5-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]boronic acid
CID 102898830
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
4-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896203
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline?
The IUPAC name of 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline (CID 102896169) is 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline?
The canonical SMILES for 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline is Nc1cc(F)ccc1OCC1CCC2(CCCCC2)O1.
What is the InChIKey of 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline?
The InChIKey is KHBSLGZVQDZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-12-4-5-15(14(18)10-12)19-11-13-6-9-16(20-13)7-2-1-3-8-16/h4-5,10,13H,1-3,6-9,11,18H2.
What are the key properties of 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline?
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline has a molecular weight of 279.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline is sourced from PubChem (CID 102896169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).