N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H22F2N2 — CID 61233323

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1ccc(F)c(F)c1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22F2N2/c1-10(11-3-6-15(17)16(18)7-11)20(2)14-8-12-4-5-13(9-14)19-12/h3,6-7,10,12-14,19H,4-5,8-9H2,1-2H3
InChIKeyWPQFTKDMXHFFPR-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233323) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233323
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1ccc(F)c(F)c1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22F2N2/c1-10(11-3-6-15(17)16(18)7-11)20(2)14-8-12-4-5-13(9-14)19-12/h3,6-7,10,12-14,19H,4-5,8-9H2,1-2H3
InChIKeyWPQFTKDMXHFFPR-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-difluorophenyl)ethyl]-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 N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61233323) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC(c1ccc(F)c(F)c1)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WPQFTKDMXHFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-10(11-3-6-15(17)16(18)7-11)20(2)14-8-12-4-5-13(9-14)19-12/h3,6-7,10,12-14,19H,4-5,8-9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 280.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).