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

C17H24ClNO2 — CID 114321606

IUPAC2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c18-15-4-3-5-16(14(15)6-10-19)21-13-7-11-20-17(12-13)8-1-2-9-17/h3-5,13H,1-2,6-12,19H2
InChIKeyCPRWHTWGDRVSEX-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.71
Rot. Bonds4

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

2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine (PubChem CID 114321606) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
PubChem CID114321606
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c18-15-4-3-5-16(14(15)6-10-19)21-13-7-11-20-17(12-13)8-1-2-9-17/h3-5,13H,1-2,6-12,19H2
InChIKeyCPRWHTWGDRVSEX-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

2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
2-[5-(1-oxaspiro[5.5]undecan-4-yloxy)-2-pyridinyl]ethanamine
CID 79908457

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine (CID 114321606) is 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine is NCCc1c(Cl)cccc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The InChIKey is CPRWHTWGDRVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-15-4-3-5-16(14(15)6-10-19)21-13-7-11-20-17(12-13)8-1-2-9-17/h3-5,13H,1-2,6-12,19H2.
What are the key properties of 2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
2-[2-chloro-6-(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-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine is sourced from PubChem (CID 114321606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).