N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

C15H19Cl3N2 — CID 62739482

IUPACN-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl3N2/c1-2-19-10-7-11-3-4-12(8-10)20(11)15-13(17)5-9(16)6-14(15)18/h5-6,10-12,19H,2-4,7-8H2,1H3
InChIKeyYBSZTBJTOBWESC-UHFFFAOYSA-N
MW333.69 g/mol
LogP4.76
Rot. Bonds3

About N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739482) has the molecular formula C15H19Cl3N2 and a molecular weight of 333.69 g/mol. Its IUPAC name is N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739482
Molecular FormulaC15H19Cl3N2
Molecular Weight333.69 g/mol
Exact Mass332.06
IUPAC NameN-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl3N2/c1-2-19-10-7-11-3-4-12(8-10)20(11)15-13(17)5-9(16)6-14(15)18/h5-6,10-12,19H,2-4,7-8H2,1H3
InChIKeyYBSZTBJTOBWESC-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.69
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107608015
8-(4-bromo-2-chlorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740346
8-(2-chloro-5-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107531408
8-(4-chloro-3-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106769
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
9-(3-chloro-5-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107370684
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107579254
9-(2,5-dichloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104728325
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
9-(4-chloro-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714697
N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739107

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739482) is N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YBSZTBJTOBWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3N2/c1-2-19-10-7-11-3-4-12(8-10)20(11)15-13(17)5-9(16)6-14(15)18/h5-6,10-12,19H,2-4,7-8H2,1H3.
What are the key properties of N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 333.69 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).