2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine

C18H27NO2 — CID 102899674

IUPAC2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C18H27NO2/c19-12-8-15-5-4-6-16(13-15)20-14-17-7-11-18(21-17)9-2-1-3-10-18/h4-6,13,17H,1-3,7-12,14,19H2
InChIKeyKWVZDDKYYINHIF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine

2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 102899674) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
PubChem CID102899674
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C18H27NO2/c19-12-8-15-5-4-6-16(13-15)20-14-17-7-11-18(21-17)9-2-1-3-10-18/h4-6,13,17H,1-3,7-12,14,19H2
InChIKeyKWVZDDKYYINHIF-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896328
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898813
2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
CID 84688736

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine (CID 102899674) is 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine is NCCc1cccc(OCC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is KWVZDDKYYINHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-12-8-15-5-4-6-16(13-15)20-14-17-7-11-18(21-17)9-2-1-3-10-18/h4-6,13,17H,1-3,7-12,14,19H2.
What are the key properties of 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine?
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 102899674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).