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

C18H27NO2 — CID 115958121

IUPAC1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OC1CCOC2(CCC2)C1
InChIInChI=1S/C18H27NO2/c1-13-5-3-6-15(11-14(2)19)17(13)21-16-7-10-20-18(12-16)8-4-9-18/h3,5-6,14,16H,4,7-12,19H2,1-2H3
InChIKeyIMAZEZBDAIADOQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.37
Rot. Bonds4

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

1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine (PubChem CID 115958121) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
PubChem CID115958121
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OC1CCOC2(CCC2)C1
InChIInChI=1S/C18H27NO2/c1-13-5-3-6-15(11-14(2)19)17(13)21-16-7-10-20-18(12-16)8-4-9-18/h3,5-6,14,16H,4,7-12,19H2,1-2H3
InChIKeyIMAZEZBDAIADOQ-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
CID 115952194
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
[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
[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
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine (CID 115958121) is 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OC1CCOC2(CCC2)C1.
What is the InChIKey of 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
The InChIKey is IMAZEZBDAIADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-5-3-6-15(11-14(2)19)17(13)21-16-7-10-20-18(12-16)8-4-9-18/h3,5-6,14,16H,4,7-12,19H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 115958121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).