3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline

C15H21NO3 — CID 79904771

IUPAC3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
SMILESCOc1cc(N)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H21NO3/c1-17-14-9-11(16)3-4-13(14)19-12-5-8-18-15(10-12)6-2-7-15/h3-4,9,12H,2,5-8,10,16H2,1H3
InChIKeyGQPDBMHMYYKDKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.76
Rot. Bonds3

About 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline

3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline (PubChem CID 79904771) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
PubChem CID79904771
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
SMILESCOc1cc(N)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H21NO3/c1-17-14-9-11(16)3-4-13(14)19-12-5-8-18-15(10-12)6-2-7-15/h3-4,9,12H,2,5-8,10,16H2,1H3
InChIKeyGQPDBMHMYYKDKX-UHFFFAOYSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.76
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

3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79906115
methyl 5-amino-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoate
CID 106955854
5-oxaspiro[3.5]nonan-8-yl 5-amino-2-methoxybenzoate
CID 79908727
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
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-amino-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzonitrile
CID 79905194
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
The IUPAC name of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline (CID 79904771) is 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline.
What is the SMILES notation for 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
The canonical SMILES for 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline is COc1cc(N)ccc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
The InChIKey is GQPDBMHMYYKDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-14-9-11(16)3-4-13(14)19-12-5-8-18-15(10-12)6-2-7-15/h3-4,9,12H,2,5-8,10,16H2,1H3.
What are the key properties of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline is sourced from PubChem (CID 79904771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).