2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane

C16H19Cl2N — CID 10040193

IUPAC2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane
SMILESCN1CC2C3CCC(C3)C2(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H19Cl2N/c1-19-8-13-10-2-3-11(6-10)16(13,9-19)12-4-5-14(17)15(18)7-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3
InChIKeyZFZLUYZSWKIUTH-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.22
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane

2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane (PubChem CID 10040193) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane
PubChem CID10040193
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane
SMILESCN1CC2C3CCC(C3)C2(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H19Cl2N/c1-19-8-13-10-2-3-11(6-10)16(13,9-19)12-4-5-14(17)15(18)7-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3
InChIKeyZFZLUYZSWKIUTH-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
CID 53318434
(3aS,6aR)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 46235733
(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 46701015
(3aS,6aR)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 46701016
(3aR,6aS)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 46701017
(3aR,7aS)-7a-(3,4-dichlorophenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 46701088
(3aS,7aR)-7a-(3,4-dichlorophenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 46701089
(3aR,7aS)-7a-(3,4-dichlorophenyl)-2-ethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 46701090
(3aS,7aR)-7a-(3,4-dichlorophenyl)-2-ethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 46701091
1-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)pyrrolidine
CID 53319767
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 53392849

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane (CID 10040193) is 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane is CN1CC2C3CCC(C3)C2(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane?
The InChIKey is ZFZLUYZSWKIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N/c1-19-8-13-10-2-3-11(6-10)16(13,9-19)12-4-5-14(17)15(18)7-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane?
2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane has a molecular weight of 296.24 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-methyl-4-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 10040193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).