5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline

C16H23NO3 — CID 102896116

IUPAC5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
SMILESCOc1ccc(OCC2CCC3(CCCC3)O2)c(N)c1
InChIInChI=1S/C16H23NO3/c1-18-12-4-5-15(14(17)10-12)19-11-13-6-9-16(20-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11,17H2,1H3
InChIKeyCWCYQJZRMATXKU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.15
Rot. Bonds4

About 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline

5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline (PubChem CID 102896116) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
PubChem CID102896116
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
SMILESCOc1ccc(OCC2CCC3(CCCC3)O2)c(N)c1
InChIInChI=1S/C16H23NO3/c1-18-12-4-5-15(14(17)10-12)19-11-13-6-9-16(20-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11,17H2,1H3
InChIKeyCWCYQJZRMATXKU-UHFFFAOYSA-N
XLogP3.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896203
2-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898755
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898749
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
2-[(2-bromo-4-methylphenoxy)methyl]-1-oxaspiro[4.5]decane
CID 102898163
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
The IUPAC name of 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline (CID 102896116) is 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline.
What is the SMILES notation for 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
The canonical SMILES for 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline is COc1ccc(OCC2CCC3(CCCC3)O2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
The InChIKey is CWCYQJZRMATXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-12-4-5-15(14(17)10-12)19-11-13-6-9-16(20-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11,17H2,1H3.
What are the key properties of 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline?
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline has a molecular weight of 277.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline is sourced from PubChem (CID 102896116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).