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

C16H22ClFN2 — CID 103049065

IUPAC2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCN1C2CCC1CC(C(N)Cc1cc(Cl)ccc1F)C2
InChIInChI=1S/C16H22ClFN2/c1-20-13-3-4-14(20)8-11(7-13)16(19)9-10-6-12(17)2-5-15(10)18/h2,5-6,11,13-14,16H,3-4,7-9,19H2,1H3
InChIKeyWKVUQCBRROPVGJ-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.22
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 103049065) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID103049065
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCN1C2CCC1CC(C(N)Cc1cc(Cl)ccc1F)C2
InChIInChI=1S/C16H22ClFN2/c1-20-13-3-4-14(20)8-11(7-13)16(19)9-10-6-12(17)2-5-15(10)18/h2,5-6,11,13-14,16H,3-4,7-9,19H2,1H3
InChIKeyWKVUQCBRROPVGJ-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-fluorophenyl)-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)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049066
2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 114932592
(1R)-1-(8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2,4,5-trifluorophenyl)ethanamine
CID 91321890
1-[3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one
CID 143553604
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 102623435
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053767
N-[(4-chloro-2-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114842413
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
CID 103052162

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 103049065) is 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is CN1C2CCC1CC(C(N)Cc1cc(Cl)ccc1F)C2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is WKVUQCBRROPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-20-13-3-4-14(20)8-11(7-13)16(19)9-10-6-12(17)2-5-15(10)18/h2,5-6,11,13-14,16H,3-4,7-9,19H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.22, 3 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)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 103049065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).