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

C17H25ClFN — CID 105032489

IUPAC2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1(CC)CCCC1
InChIInChI=1S/C17H25ClFN/c1-3-17(10-5-6-11-17)15(20-4-2)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,3-6,10-12H2,1-2H3
InChIKeyIJVCLWIBXPLJBD-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.97
Rot. Bonds6

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

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine (PubChem CID 105032489) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
PubChem CID105032489
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1(CC)CCCC1
InChIInChI=1S/C17H25ClFN/c1-3-17(10-5-6-11-17)15(20-4-2)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,3-6,10-12H2,1-2H3
InChIKeyIJVCLWIBXPLJBD-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 105032675
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 102867147
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylcyclopropyl)ethanamine
CID 112653897
2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115831198
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine (CID 105032489) is 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine is CCNC(Cc1cccc(F)c1Cl)C1(CC)CCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The InChIKey is IJVCLWIBXPLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-17(10-5-6-11-17)15(20-4-2)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,3-6,10-12H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.97, 6 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)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 105032489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).