1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine

C17H25NO2 — CID 102896304

IUPAC1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CCC3(CCCC3)O2)cc1
InChIInChI=1S/C17H25NO2/c1-13(18)14-4-6-15(7-5-14)19-12-16-8-11-17(20-16)9-2-3-10-17/h4-7,13,16H,2-3,8-12,18H2,1H3
InChIKeyLQTCJGUUFQBLOB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine

1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 102896304) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
PubChem CID102896304
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CCC3(CCCC3)O2)cc1
InChIInChI=1S/C17H25NO2/c1-13(18)14-4-6-15(7-5-14)19-12-16-8-11-17(20-16)9-2-3-10-17/h4-7,13,16H,2-3,8-12,18H2,1H3
InChIKeyLQTCJGUUFQBLOB-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine with MolForge

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Related Compounds

2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846311
4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898340
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896328
(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898677
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
4-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896203
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine (CID 102896304) is 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine is CC(N)c1ccc(OCC2CCC3(CCCC3)O2)cc1.
What is the InChIKey of 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is LQTCJGUUFQBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18)14-4-6-15(7-5-14)19-12-16-8-11-17(20-16)9-2-3-10-17/h4-7,13,16H,2-3,8-12,18H2,1H3.
What are the key properties of 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 102896304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).