8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H18Cl2N2 — CID 62738935

IUPAC8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c1-17-9-6-10-2-3-11(7-9)18(10)12-4-5-13(15)14(16)8-12/h4-5,8-11,17H,2-3,6-7H2,1H3
InChIKeyVKRALVAJQCACGL-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.71
Rot. Bonds2

About 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738935) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738935
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c1-17-9-6-10-2-3-11(7-9)18(10)12-4-5-13(15)14(16)8-12/h4-5,8-11,17H,2-3,6-7H2,1H3
InChIKeyVKRALVAJQCACGL-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62738935) is 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VKRALVAJQCACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-17-9-6-10-2-3-11(7-9)18(10)12-4-5-13(15)14(16)8-12/h4-5,8-11,17H,2-3,6-7H2,1H3.
What are the key properties of 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 285.22 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).