N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H22Cl2N2 — CID 65316564

IUPACN-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1cc(Cl)ccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22Cl2N2/c1-2-20(10-11-7-12(17)3-6-16(11)18)15-8-13-4-5-14(9-15)19-13/h3,6-7,13-15,19H,2,4-5,8-10H2,1H3
InChIKeyXGIADCYYFBWBMA-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.10
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65316564) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65316564
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1cc(Cl)ccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22Cl2N2/c1-2-20(10-11-7-12(17)3-6-16(11)18)15-8-13-4-5-14(9-15)19-13/h3,6-7,13-15,19H,2,4-5,8-10H2,1H3
InChIKeyXGIADCYYFBWBMA-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dichlorophenyl)methyl]-N-ethyl-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 N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 65316564) is N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1cc(Cl)ccc1Cl)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XGIADCYYFBWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-2-20(10-11-7-12(17)3-6-16(11)18)15-8-13-4-5-14(9-15)19-13/h3,6-7,13-15,19H,2,4-5,8-10H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 313.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65316564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).