2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

C17H25F2N — CID 107187954

IUPAC2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCCC1(C)C
InChIInChI=1S/C17H25F2N/c1-4-20-16(14-6-5-9-17(14,2)3)11-12-10-13(18)7-8-15(12)19/h7-8,10,14,16,20H,4-6,9,11H2,1-3H3
InChIKeyJFRXHECOXDFLIC-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (PubChem CID 107187954) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
PubChem CID107187954
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCCC1(C)C
InChIInChI=1S/C17H25F2N/c1-4-20-16(14-6-5-9-17(14,2)3)11-12-10-13(18)7-8-15(12)19/h7-8,10,14,16,20H,4-6,9,11H2,1-3H3
InChIKeyJFRXHECOXDFLIC-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (CID 107187954) is 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1F)C1CCCC1(C)C.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The InChIKey is JFRXHECOXDFLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-4-20-16(14-6-5-9-17(14,2)3)11-12-10-13(18)7-8-15(12)19/h7-8,10,14,16,20H,4-6,9,11H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 107187954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).