N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine

C17H25NO3 — CID 79901606

IUPACN-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCOc1ccc(NC2CCOC3(CCCC3)C2)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-19-14-5-6-15(16(11-14)20-2)18-13-7-10-21-17(12-13)8-3-4-9-17/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3
InChIKeyWHISVVGVQVEBFJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.61
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine

N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79901606) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79901606
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCOc1ccc(NC2CCOC3(CCCC3)C2)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-19-14-5-6-15(16(11-14)20-2)18-13-7-10-21-17(12-13)8-3-4-9-17/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3
InChIKeyWHISVVGVQVEBFJ-UHFFFAOYSA-N
XLogP3.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(2,4-dibromo-5-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103413368
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(4-methoxy-2-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903734
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine (CID 79901606) is N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine is COc1ccc(NC2CCOC3(CCCC3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is WHISVVGVQVEBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-14-5-6-15(16(11-14)20-2)18-13-7-10-21-17(12-13)8-3-4-9-17/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 291.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79901606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).