5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline

C12H15ClN2 — CID 79688506

IUPAC5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline
SMILESNc1cc(N2CC3(CCC3)C2)ccc1Cl
InChIInChI=1S/C12H15ClN2/c13-10-3-2-9(6-11(10)14)15-7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,14H2
InChIKeyBCXANLPYBMGSJF-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.91
Rot. Bonds1

About 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline

5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline (PubChem CID 79688506) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline
PubChem CID79688506
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline
SMILESNc1cc(N2CC3(CCC3)C2)ccc1Cl
InChIInChI=1S/C12H15ClN2/c13-10-3-2-9(6-11(10)14)15-7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,14H2
InChIKeyBCXANLPYBMGSJF-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline (CID 79688506) is 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline is Nc1cc(N2CC3(CCC3)C2)ccc1Cl.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline?
The InChIKey is BCXANLPYBMGSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-10-3-2-9(6-11(10)14)15-7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,14H2.
What are the key properties of 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline?
5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline has a molecular weight of 222.72 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-2-yl)-2-chloroaniline is sourced from PubChem (CID 79688506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).