2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine

C14H18ClNO — CID 65006357

IUPAC2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine
SMILESNC1(c2ccccc2Cl)CC2(CCOCC2)C1
InChIInChI=1S/C14H18ClNO/c15-12-4-2-1-3-11(12)14(16)9-13(10-14)5-7-17-8-6-13/h1-4H,5-10,16H2
InChIKeyCLAZJBXTOYEQOI-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.08
Rot. Bonds1

About 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine

2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine (PubChem CID 65006357) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine
PubChem CID65006357
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine
SMILESNC1(c2ccccc2Cl)CC2(CCOCC2)C1
InChIInChI=1S/C14H18ClNO/c15-12-4-2-1-3-11(12)14(16)9-13(10-14)5-7-17-8-6-13/h1-4H,5-10,16H2
InChIKeyCLAZJBXTOYEQOI-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine?
The IUPAC name of 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine (CID 65006357) is 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine?
The canonical SMILES for 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine is NC1(c2ccccc2Cl)CC2(CCOCC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine?
The InChIKey is CLAZJBXTOYEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-4-2-1-3-11(12)14(16)9-13(10-14)5-7-17-8-6-13/h1-4H,5-10,16H2.
What are the key properties of 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine?
2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine has a molecular weight of 251.76 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 65006357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).