9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H18Cl2N2 — CID 62713967

IUPAC9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2/c15-9-4-5-13(16)14(6-9)18-11-2-1-3-12(18)8-10(17)7-11/h4-6,10-12H,1-3,7-8,17H2
InChIKeyJJFCTCRBIAPIDX-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.84
Rot. Bonds1

About 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713967) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713967
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2/c15-9-4-5-13(16)14(6-9)18-11-2-1-3-12(18)8-10(17)7-11/h4-6,10-12H,1-3,7-8,17H2
InChIKeyJJFCTCRBIAPIDX-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713967) is 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2c1cc(Cl)ccc1Cl.
What is the InChIKey of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is JJFCTCRBIAPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c15-9-4-5-13(16)14(6-9)18-11-2-1-3-12(18)8-10(17)7-11/h4-6,10-12H,1-3,7-8,17H2.
What are the key properties of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 285.22 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).