8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25FN2 — CID 62739080

IUPAC8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1ccccc1F
InChIInChI=1S/C17H25FN2/c1-2-9-19-14-10-15-7-8-16(11-14)20(15)12-13-5-3-4-6-17(13)18/h3-6,14-16,19H,2,7-12H2,1H3
InChIKeyAGGPEOYRGFHAAG-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.32
Rot. Bonds5

About 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739080) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739080
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1ccccc1F
InChIInChI=1S/C17H25FN2/c1-2-9-19-14-10-15-7-8-16(11-14)20(15)12-13-5-3-4-6-17(13)18/h3-6,14-16,19H,2,7-12H2,1H3
InChIKeyAGGPEOYRGFHAAG-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(2-fluorophenyl)methyl]-N-propyl-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

Related Compounds

8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114957602
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106897823
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 66807176
(1S,5S)-8-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 98114778
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739080) is 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2Cc1ccccc1F.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AGGPEOYRGFHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-9-19-14-10-15-7-8-16(11-14)20(15)12-13-5-3-4-6-17(13)18/h3-6,14-16,19H,2,7-12H2,1H3.
What are the key properties of 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).