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

C17H25NO2 — CID 102896068

IUPAC[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(OCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c18-12-14-5-4-6-15(11-14)19-13-16-7-10-17(20-16)8-2-1-3-9-17/h4-6,11,16H,1-3,7-10,12-13,18H2
InChIKeyIZJWQQRRPGXWJZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds4

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

[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine (PubChem CID 102896068) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
PubChem CID102896068
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(OCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c18-12-14-5-4-6-15(11-14)19-13-16-7-10-17(20-16)8-2-1-3-9-17/h4-6,11,16H,1-3,7-10,12-13,18H2
InChIKeyIZJWQQRRPGXWJZ-UHFFFAOYSA-N
XLogP3.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
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
3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896490
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
2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898813
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119

Frequently Asked Questions

What is the IUPAC name of [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine (CID 102896068) is [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine is NCc1cccc(OCC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
The InChIKey is IZJWQQRRPGXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-12-14-5-4-6-15(11-14)19-13-16-7-10-17(20-16)8-2-1-3-9-17/h4-6,11,16H,1-3,7-10,12-13,18H2.
What are the key properties of [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 102896068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).