N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine

C17H25NO2 — CID 115952194

IUPACN-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
SMILESCNCc1cccc(C)c1OC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO2/c1-13-5-3-6-14(12-18-2)16(13)20-15-7-10-19-17(11-15)8-4-9-17/h3,5-6,15,18H,4,7-12H2,1-2H3
InChIKeyFWZMBMOHMFVZPN-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine

N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine (PubChem CID 115952194) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
PubChem CID115952194
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
SMILESCNCc1cccc(C)c1OC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO2/c1-13-5-3-6-14(12-18-2)16(13)20-15-7-10-19-17(11-15)8-4-9-17/h3,5-6,15,18H,4,7-12H2,1-2H3
InChIKeyFWZMBMOHMFVZPN-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine with MolForge

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Related Compounds

1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 115958121
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824
[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol
CID 79899040
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
[3-bromo-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methanamine
CID 79904447
4-[2-bromo-6-(bromomethyl)phenoxy]-1-oxaspiro[5.5]undecane
CID 79900229
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-methylphenyl]-N-methylmethanamine
CID 112608470

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine (CID 115952194) is N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine is CNCc1cccc(C)c1OC1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine?
The InChIKey is FWZMBMOHMFVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-3-6-14(12-18-2)16(13)20-15-7-10-19-17(11-15)8-4-9-17/h3,5-6,15,18H,4,7-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine?
N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.19, 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-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine is sourced from PubChem (CID 115952194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).