2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine

C17H25NO3 — CID 115957697

IUPAC2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H25NO3/c1-13-3-2-4-14(5-8-18)16(13)21-15-6-9-20-17(11-15)7-10-19-12-17/h2-4,15H,5-12,18H2,1H3
InChIKeyWONURLMWPXDOKH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine

2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine (PubChem CID 115957697) 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)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
PubChem CID115957697
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H25NO3/c1-13-3-2-4-14(5-8-18)16(13)21-15-6-9-20-17(11-15)7-10-19-12-17/h2-4,15H,5-12,18H2,1H3
InChIKeyWONURLMWPXDOKH-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

1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
CID 115952194
1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 115958121
[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
CID 79894610
9-[4-bromo-2-(bromomethyl)-6-methylphenoxy]-2,6-dioxaspiro[4.5]decane
CID 115962401
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
CID 79901924
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine (CID 115957697) is 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine is Cc1cccc(CCN)c1OC1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine?
The InChIKey is WONURLMWPXDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-3-2-4-14(5-8-18)16(13)21-15-6-9-20-17(11-15)7-10-19-12-17/h2-4,15H,5-12,18H2,1H3.
What are the key properties of 2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine?
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-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)-3-methylphenyl]ethanamine is sourced from PubChem (CID 115957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).