(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine

C17H24ClNO2 — CID 79900456

IUPAC(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c1-12(19)15-10-13(18)4-5-16(15)21-14-6-9-20-17(11-14)7-2-3-8-17/h4-5,10,12,14H,2-3,6-9,11,19H2,1H3/t12-,14?/m1/s1
InChIKeyQZGHWLBMEJNRGE-PUODRLBUSA-N
MW309.84 g/mol
LogP4.23
Rot. Bonds3

About (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine

(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine (PubChem CID 79900456) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
PubChem CID79900456
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c1-12(19)15-10-13(18)4-5-16(15)21-14-6-9-20-17(11-14)7-2-3-8-17/h4-5,10,12,14H,2-3,6-9,11,19H2,1H3/t12-,14?/m1/s1
InChIKeyQZGHWLBMEJNRGE-PUODRLBUSA-N
XLogP4.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine with MolForge

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Related Compounds

(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine (CID 79900456) is (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine is C[C@@H](N)c1cc(Cl)ccc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
The InChIKey is QZGHWLBMEJNRGE-PUODRLBUSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12(19)15-10-13(18)4-5-16(15)21-14-6-9-20-17(11-14)7-2-3-8-17/h4-5,10,12,14H,2-3,6-9,11,19H2,1H3/t12-,14?/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine?
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine has a molecular weight of 309.84 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79900456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).