2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine

C18H27ClFN — CID 115983923

IUPAC2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1CCCCCCC1
InChIInChI=1S/C18H27ClFN/c1-2-21-17(14-9-6-4-3-5-7-10-14)13-15-11-8-12-16(20)18(15)19/h8,11-12,14,17,21H,2-7,9-10,13H2,1H3
InChIKeyQJFBEKFHWZJPHV-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.36
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine

2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine (PubChem CID 115983923) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
PubChem CID115983923
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1CCCCCCC1
InChIInChI=1S/C18H27ClFN/c1-2-21-17(14-9-6-4-3-5-7-10-14)13-15-11-8-12-16(20)18(15)19/h8,11-12,14,17,21H,2-7,9-10,13H2,1H3
InChIKeyQJFBEKFHWZJPHV-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine (CID 115983923) is 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine is CCNC(Cc1cccc(F)c1Cl)C1CCCCCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine?
The InChIKey is QJFBEKFHWZJPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-2-21-17(14-9-6-4-3-5-7-10-14)13-15-11-8-12-16(20)18(15)19/h8,11-12,14,17,21H,2-7,9-10,13H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine?
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine has a molecular weight of 311.87 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine is sourced from PubChem (CID 115983923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).