4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline

C16H23NO3 — CID 102702521

IUPAC4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
SMILESCOc1ccc(N)c(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H23NO3/c1-18-12-4-5-14(17)15(10-12)20-13-6-9-19-16(11-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11,17H2,1H3
InChIKeyBUQNIDKSYIWFKB-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.15
Rot. Bonds3

About 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline

4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline (PubChem CID 102702521) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline.

Molecular Properties

Compound Name4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
PubChem CID102702521
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
SMILESCOc1ccc(N)c(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H23NO3/c1-18-12-4-5-14(17)15(10-12)20-13-6-9-19-16(11-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11,17H2,1H3
InChIKeyBUQNIDKSYIWFKB-UHFFFAOYSA-N
XLogP3.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine
CID 79898940
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
potassium trifluoro-[5-methoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 113443480
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
CID 114340540
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The IUPAC name of 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline (CID 102702521) is 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline.
What is the SMILES notation for 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The canonical SMILES for 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline is COc1ccc(N)c(OC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The InChIKey is BUQNIDKSYIWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-12-4-5-14(17)15(10-12)20-13-6-9-19-16(11-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11,17H2,1H3.
What are the key properties of 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline has a molecular weight of 277.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline is sourced from PubChem (CID 102702521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).