N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine

C17H25NO2 — CID 79905000

IUPACN-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-13(18-2)14-5-3-6-15(11-14)20-16-7-10-19-17(12-16)8-4-9-17/h3,5-6,11,13,16,18H,4,7-10,12H2,1-2H3
InChIKeyMFUXAPOVLSTISK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.45
Rot. Bonds4

About N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine

N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine (PubChem CID 79905000) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
PubChem CID79905000
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-13(18-2)14-5-3-6-15(11-14)20-16-7-10-19-17(12-16)8-4-9-17/h3,5-6,11,13,16,18H,4,7-10,12H2,1-2H3
InChIKeyMFUXAPOVLSTISK-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 79899060
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 79900555
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
4,4,5,5-tetramethyl-2-[3-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 113252337
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine (CID 79905000) is N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine is CNC(C)c1cccc(OC2CCOC3(CCC3)C2)c1.
What is the InChIKey of N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The InChIKey is MFUXAPOVLSTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18-2)14-5-3-6-15(11-14)20-16-7-10-19-17(12-16)8-4-9-17/h3,5-6,11,13,16,18H,4,7-10,12H2,1-2H3.
What are the key properties of N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79905000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).