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

C17H25NO2 — CID 79911465

IUPAC1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-13(18)10-14-4-2-5-15(11-14)20-16-6-9-19-17(12-16)7-3-8-17/h2,4-5,11,13,16H,3,6-10,12,18H2,1H3
InChIKeyLGFLUZYFFGCUCV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.06
Rot. Bonds4

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

1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine (PubChem CID 79911465) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
PubChem CID79911465
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-13(18)10-14-4-2-5-15(11-14)20-16-6-9-19-17(12-16)7-3-8-17/h2,4-5,11,13,16H,3,6-10,12,18H2,1H3
InChIKeyLGFLUZYFFGCUCV-UHFFFAOYSA-N
XLogP3.06
TPSA44.48 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 115958121
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 79900555
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
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 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine (CID 79911465) is 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine is CC(N)Cc1cccc(OC2CCOC3(CCC3)C2)c1.
What is the InChIKey of 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
The InChIKey is LGFLUZYFFGCUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18)10-14-4-2-5-15(11-14)20-16-6-9-19-17(12-16)7-3-8-17/h2,4-5,11,13,16H,3,6-10,12,18H2,1H3.
What are the key properties of 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine?
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 79911465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).