2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine

C17H25FN2 — CID 79614978

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCC1CC2CCC(C1)N2)Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2/c1-20(12-14-3-2-4-15(18)9-14)8-7-13-10-16-5-6-17(11-13)19-16/h2-4,9,13,16-17,19H,5-8,10-12H2,1H3
InChIKeyJWMFANHZYQVDFS-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.18
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 79614978) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
PubChem CID79614978
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCC1CC2CCC(C1)N2)Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2/c1-20(12-14-3-2-4-15(18)9-14)8-7-13-10-16-5-6-17(11-13)19-16/h2-4,9,13,16-17,19H,5-8,10-12H2,1H3
InChIKeyJWMFANHZYQVDFS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-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

N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114832258
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
CID 115212038
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
CID 62612853
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332
8-azabicyclo[3.2.1]octan-3-ylmethyl-[2-[(3-fluorophenyl)methyl]thiophen-3-yl]carbamic acid
CID 69442470
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (CID 79614978) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is CN(CCC1CC2CCC(C1)N2)Cc1cccc(F)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is JWMFANHZYQVDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-20(12-14-3-2-4-15(18)9-14)8-7-13-10-16-5-6-17(11-13)19-16/h2-4,9,13,16-17,19H,5-8,10-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 79614978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).