2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline

C15H21ClN2 — CID 114279179

IUPAC2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline
SMILESNc1cc(Cl)ccc1CN1CCC2(CCCC2)C1
InChIInChI=1S/C15H21ClN2/c16-13-4-3-12(14(17)9-13)10-18-8-7-15(11-18)5-1-2-6-15/h3-4,9H,1-2,5-8,10-11,17H2
InChIKeyPHPRPILAHWUHOP-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.69
Rot. Bonds2

About 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline

2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline (PubChem CID 114279179) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline.

Molecular Properties

Compound Name2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline
PubChem CID114279179
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline
SMILESNc1cc(Cl)ccc1CN1CCC2(CCCC2)C1
InChIInChI=1S/C15H21ClN2/c16-13-4-3-12(14(17)9-13)10-18-8-7-15(11-18)5-1-2-6-15/h3-4,9H,1-2,5-8,10-11,17H2
InChIKeyPHPRPILAHWUHOP-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.69
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 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline?
The IUPAC name of 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline (CID 114279179) is 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline.
What is the SMILES notation for 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline?
The canonical SMILES for 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline is Nc1cc(Cl)ccc1CN1CCC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline?
The InChIKey is PHPRPILAHWUHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-13-4-3-12(14(17)9-13)10-18-8-7-15(11-18)5-1-2-6-15/h3-4,9H,1-2,5-8,10-11,17H2.
What are the key properties of 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline?
2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline has a molecular weight of 264.80 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline is sourced from PubChem (CID 114279179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).