N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine

C17H25FN2 — CID 102894513

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)CC1NCC2CCCC21
InChIInChI=1S/C17H25FN2/c1-12(14-7-3-4-9-16(14)18)20(2)11-17-15-8-5-6-13(15)10-19-17/h3-4,7,9,12-13,15,17,19H,5-6,8,10-11H2,1-2H3
InChIKeyYBFAWFRUTFTSPW-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.21
Rot. Bonds4

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine (PubChem CID 102894513) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine
PubChem CID102894513
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)CC1NCC2CCCC21
InChIInChI=1S/C17H25FN2/c1-12(14-7-3-4-9-16(14)18)20(2)11-17-15-8-5-6-13(15)10-19-17/h3-4,7,9,12-13,15,17,19H,5-6,8,10-11H2,1-2H3
InChIKeyYBFAWFRUTFTSPW-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine 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

1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79843106
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine (CID 102894513) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine is CC(c1ccccc1F)N(C)CC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is YBFAWFRUTFTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12(14-7-3-4-9-16(14)18)20(2)11-17-15-8-5-6-13(15)10-19-17/h3-4,7,9,12-13,15,17,19H,5-6,8,10-11H2,1-2H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 102894513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).