2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine

C17H25NO3 — CID 79908190

IUPAC2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESNCCc1ccccc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H25NO3/c18-9-5-14-3-1-2-4-16(14)21-15-6-10-20-17(13-15)7-11-19-12-8-17/h1-4,15H,5-13,18H2
InChIKeyKXPHSYZJAJHUAE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine

2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (PubChem CID 79908190) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
PubChem CID79908190
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESNCCc1ccccc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H25NO3/c18-9-5-14-3-1-2-4-16(14)21-15-6-10-20-17(13-15)7-11-19-12-8-17/h1-4,15H,5-13,18H2
InChIKeyKXPHSYZJAJHUAE-UHFFFAOYSA-N
XLogP2.29
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine 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

2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 114321606
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (CID 79908190) is 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is NCCc1ccccc1OC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The InChIKey is KXPHSYZJAJHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c18-9-5-14-3-1-2-4-16(14)21-15-6-10-20-17(13-15)7-11-19-12-8-17/h1-4,15H,5-13,18H2.
What are the key properties of 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine has a molecular weight of 291.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79908190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).