N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine

C18H27NO2 — CID 79899819

IUPACN-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-2-19-14-15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-3-4-11-18/h5-8,17,19H,2-4,9-14H2,1H3
InChIKeyNHCJXOGCVDZSRI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds5

About N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine

N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine (PubChem CID 79899819) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
PubChem CID79899819
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-2-19-14-15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-3-4-11-18/h5-8,17,19H,2-4,9-14H2,1H3
InChIKeyNHCJXOGCVDZSRI-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
N-[[5-(5-oxaspiro[3.5]nonan-8-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79901007

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine (CID 79899819) is N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine is CCNCc1ccc(OC2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine?
The InChIKey is NHCJXOGCVDZSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-19-14-15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-3-4-11-18/h5-8,17,19H,2-4,9-14H2,1H3.
What are the key properties of N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine?
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 79899819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).