N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H20BrFN2 — CID 120836431

IUPACN-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1c(F)cccc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C15H20BrFN2/c1-19(9-13-14(16)3-2-4-15(13)17)12-7-10-5-6-11(8-12)18-10/h2-4,10-12,18H,5-9H2,1H3
InChIKeyWBKGTHFOGKSSNO-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.30
Rot. Bonds3

About N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 120836431) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID120836431
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC NameN-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1c(F)cccc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C15H20BrFN2/c1-19(9-13-14(16)3-2-4-15(13)17)12-7-10-5-6-11(8-12)18-10/h2-4,10-12,18H,5-9H2,1H3
InChIKeyWBKGTHFOGKSSNO-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-6-fluorophenyl)methyl]-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

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836597
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842332
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 119682892
4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
CID 61232434
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
2-bromo-N-[(2,6-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637204
N-[(4-ethoxy-3-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836496
N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004344
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835424

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 120836431) is N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(Cc1c(F)cccc1Br)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WBKGTHFOGKSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c1-19(9-13-14(16)3-2-4-15(13)17)12-7-10-5-6-11(8-12)18-10/h2-4,10-12,18H,5-9H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 327.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 120836431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).