9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H25ClN2 — CID 62713793

IUPAC9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-3-19-13-9-14-5-4-6-15(10-13)20(14)16-8-7-12(2)17(18)11-16/h7-8,11,13-15,19H,3-6,9-10H2,1-2H3
InChIKeyUBOCHRPRUKPHJJ-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.15
Rot. Bonds3

About 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713793) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713793
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-3-19-13-9-14-5-4-6-15(10-13)20(14)16-8-7-12(2)17(18)11-16/h7-8,11,13-15,19H,3-6,9-10H2,1-2H3
InChIKeyUBOCHRPRUKPHJJ-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713793) is 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1.
What is the InChIKey of 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is UBOCHRPRUKPHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-3-19-13-9-14-5-4-6-15(10-13)20(14)16-8-7-12(2)17(18)11-16/h7-8,11,13-15,19H,3-6,9-10H2,1-2H3.
What are the key properties of 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.85 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).