N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C16H22ClFN2 — CID 61011641

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCN1C2CCC1CC(CNCc1c(F)cccc1Cl)C2
InChIInChI=1S/C16H22ClFN2/c1-20-12-5-6-13(20)8-11(7-12)9-19-10-14-15(17)3-2-4-16(14)18/h2-4,11-13,19H,5-10H2,1H3
InChIKeyGXLLQFGVLGQJDR-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 61011641) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID61011641
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCN1C2CCC1CC(CNCc1c(F)cccc1Cl)C2
InChIInChI=1S/C16H22ClFN2/c1-20-12-5-6-13(20)8-11(7-12)9-19-10-14-15(17)3-2-4-16(14)18/h2-4,11-13,19H,5-10H2,1H3
InChIKeyGXLLQFGVLGQJDR-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine with MolForge

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 66525054
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231607
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129474044
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90664483
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62339065
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 61011641) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CN1C2CCC1CC(CNCc1c(F)cccc1Cl)C2.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is GXLLQFGVLGQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-20-12-5-6-13(20)8-11(7-12)9-19-10-14-15(17)3-2-4-16(14)18/h2-4,11-13,19H,5-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 296.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 61011641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).