5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline

C17H25NO3 — CID 79898658

IUPAC5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
SMILESCOc1ccc(OC2CCOC3(CCCCC3)C2)c(N)c1
InChIInChI=1S/C17H25NO3/c1-19-13-5-6-16(15(18)11-13)21-14-7-10-20-17(12-14)8-3-2-4-9-17/h5-6,11,14H,2-4,7-10,12,18H2,1H3
InChIKeyFQQAHIFVNXZVJO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.54
Rot. Bonds3

About 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline

5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline (PubChem CID 79898658) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline.

Molecular Properties

Compound Name5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
PubChem CID79898658
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
SMILESCOc1ccc(OC2CCOC3(CCCCC3)C2)c(N)c1
InChIInChI=1S/C17H25NO3/c1-19-13-5-6-16(15(18)11-13)21-14-7-10-20-17(12-14)8-3-2-4-9-17/h5-6,11,14H,2-4,7-10,12,18H2,1H3
InChIKeyFQQAHIFVNXZVJO-UHFFFAOYSA-N
XLogP3.54
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.54
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-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
potassium trifluoro-[5-methoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 113443480
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
3-amino-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzonitrile
CID 79905194
4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine
CID 79898940
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The IUPAC name of 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline (CID 79898658) is 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline.
What is the SMILES notation for 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The canonical SMILES for 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline is COc1ccc(OC2CCOC3(CCCCC3)C2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The InChIKey is FQQAHIFVNXZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-13-5-6-16(15(18)11-13)21-14-7-10-20-17(12-14)8-3-2-4-9-17/h5-6,11,14H,2-4,7-10,12,18H2,1H3.
What are the key properties of 5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline has a molecular weight of 291.39 g/mol, XLogP of 3.54, 3 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[5.5]undecan-4-yloxy)aniline is sourced from PubChem (CID 79898658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).