2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine

C17H24ClNO2 — CID 79908194

IUPAC2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c18-14-3-4-16(13(11-14)5-9-19)21-15-6-10-20-17(12-15)7-1-2-8-17/h3-4,11,15H,1-2,5-10,12,19H2
InChIKeyJMULQKWUCWUXFO-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.71
Rot. Bonds4

About 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine

2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine (PubChem CID 79908194) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
PubChem CID79908194
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c18-14-3-4-16(13(11-14)5-9-19)21-15-6-10-20-17(12-15)7-1-2-8-17/h3-4,11,15H,1-2,5-10,12,19H2
InChIKeyJMULQKWUCWUXFO-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899571
2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 114321606
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
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
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine (CID 79908194) is 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine is NCCc1cc(Cl)ccc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The InChIKey is JMULQKWUCWUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-14-3-4-16(13(11-14)5-9-19)21-15-6-10-20-17(12-15)7-1-2-8-17/h3-4,11,15H,1-2,5-10,12,19H2.
What are the key properties of 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine has a molecular weight of 309.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79908194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).