1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine

C17H25NO3 — CID 79908209

IUPAC1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H25NO3/c1-13(18)10-14-4-2-3-5-16(14)21-15-6-8-20-17(11-15)7-9-19-12-17/h2-5,13,15H,6-12,18H2,1H3
InChIKeyQZXICJCBDCJKCY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine

1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine (PubChem CID 79908209) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
PubChem CID79908209
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H25NO3/c1-13(18)10-14-4-2-3-5-16(14)21-15-6-8-20-17(11-15)7-9-19-12-17/h2-5,13,15H,6-12,18H2,1H3
InChIKeyQZXICJCBDCJKCY-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

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Related Compounds

2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
CID 79900742
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
1-[5-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-pyridinyl]propan-2-amine
CID 79908461
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
CID 79902453
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 115958121
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine (CID 79908209) is 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1OC1CCOC2(CCOC2)C1.
What is the InChIKey of 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine?
The InChIKey is QZXICJCBDCJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(18)10-14-4-2-3-5-16(14)21-15-6-8-20-17(11-15)7-9-19-12-17/h2-5,13,15H,6-12,18H2,1H3.
What are the key properties of 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine?
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine 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 1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 79908209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).