2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

C17H24ClFN2 — CID 103049066

IUPAC2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H24ClFN2/c1-20-17(10-11-7-13(18)3-6-16(11)19)12-8-14-4-5-15(9-12)21(14)2/h3,6-7,12,14-15,17,20H,4-5,8-10H2,1-2H3
InChIKeyYNKFHTWFGQKECS-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.48
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 103049066) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID103049066
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H24ClFN2/c1-20-17(10-11-7-13(18)3-6-16(11)19)12-8-14-4-5-15(9-12)21(14)2/h3,6-7,12,14-15,17,20H,4-5,8-10H2,1-2H3
InChIKeyYNKFHTWFGQKECS-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine with MolForge

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049065
2-(5-chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 103049012
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053767
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 102623435
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
2-(furan-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 112681201
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998167

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 103049066) is 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is CNC(Cc1cc(Cl)ccc1F)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is YNKFHTWFGQKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-20-17(10-11-7-13(18)3-6-16(11)19)12-8-14-4-5-15(9-12)21(14)2/h3,6-7,12,14-15,17,20H,4-5,8-10H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 310.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 103049066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).