2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine

C17H25NO3 — CID 79908450

IUPAC2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
SMILESCc1ccc(OC2CCOC3(CCOC3)C2)c(CCN)c1
InChIInChI=1S/C17H25NO3/c1-13-2-3-16(14(10-13)4-7-18)21-15-5-8-20-17(11-15)6-9-19-12-17/h2-3,10,15H,4-9,11-12,18H2,1H3
InChIKeyHLDHPGHIYARAPR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine

2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine (PubChem CID 79908450) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
PubChem CID79908450
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
SMILESCc1ccc(OC2CCOC3(CCOC3)C2)c(CCN)c1
InChIInChI=1S/C17H25NO3/c1-13-2-3-16(14(10-13)4-7-18)21-15-5-8-20-17(11-15)6-9-19-12-17/h2-3,10,15H,4-9,11-12,18H2,1H3
InChIKeyHLDHPGHIYARAPR-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
CID 79899358
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine (CID 79908450) is 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine is Cc1ccc(OC2CCOC3(CCOC3)C2)c(CCN)c1.
What is the InChIKey of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine?
The InChIKey is HLDHPGHIYARAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-2-3-16(14(10-13)4-7-18)21-15-5-8-20-17(11-15)6-9-19-12-17/h2-3,10,15H,4-9,11-12,18H2,1H3.
What are the key properties of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine?
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine has a molecular weight of 291.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine is sourced from PubChem (CID 79908450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).