N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine

C16H23NO3 — CID 79898455

IUPACN-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCOc1cc(NC2CCOC3(CCC3)C2)cc(OC)c1
InChIInChI=1S/C16H23NO3/c1-18-14-8-13(9-15(10-14)19-2)17-12-4-7-20-16(11-12)5-3-6-16/h8-10,12,17H,3-7,11H2,1-2H3
InChIKeyYDZSBLIBDTYIIV-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.22
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79898455) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79898455
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCOc1cc(NC2CCOC3(CCC3)C2)cc(OC)c1
InChIInChI=1S/C16H23NO3/c1-18-14-8-13(9-15(10-14)19-2)17-12-4-7-20-16(11-12)5-3-6-16/h8-10,12,17H,3-7,11H2,1-2H3
InChIKeyYDZSBLIBDTYIIV-UHFFFAOYSA-N
XLogP3.22
TPSA39.72 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(2,4-dibromo-5-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103413368
4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
CID 79895553
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132
N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895159

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79898455) is N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine is COc1cc(NC2CCOC3(CCC3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is YDZSBLIBDTYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-14-8-13(9-15(10-14)19-2)17-12-4-7-20-16(11-12)5-3-6-16/h8-10,12,17H,3-7,11H2,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 277.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79898455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).