2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine

C17H25ClFN — CID 102857659

IUPAC2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)C1CCC(CC)C1
InChIInChI=1S/C17H25ClFN/c1-3-12-8-9-13(10-12)16(20-4-2)11-14-6-5-7-15(18)17(14)19/h5-7,12-13,16,20H,3-4,8-11H2,1-2H3
InChIKeyCXVUKBJVDLHLLX-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.83
Rot. Bonds6

About 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine

2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine (PubChem CID 102857659) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
PubChem CID102857659
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)C1CCC(CC)C1
InChIInChI=1S/C17H25ClFN/c1-3-12-8-9-13(10-12)16(20-4-2)11-14-6-5-7-15(18)17(14)19/h5-7,12-13,16,20H,3-4,8-11H2,1-2H3
InChIKeyCXVUKBJVDLHLLX-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
CID 107308723
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102857602
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine (CID 102857659) is 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine is CCNC(Cc1cccc(Cl)c1F)C1CCC(CC)C1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine?
The InChIKey is CXVUKBJVDLHLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-12-8-9-13(10-12)16(20-4-2)11-14-6-5-7-15(18)17(14)19/h5-7,12-13,16,20H,3-4,8-11H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 102857659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).