1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine

C15H21BrFN — CID 115847237

IUPAC1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-2-18-15(9-11-5-3-4-6-11)13-8-7-12(17)10-14(13)16/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyLGPJOIJXGSGBTI-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine

1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine (PubChem CID 115847237) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
PubChem CID115847237
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-2-18-15(9-11-5-3-4-6-11)13-8-7-12(17)10-14(13)16/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyLGPJOIJXGSGBTI-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(2-bromo-4-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 115814229
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493192
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine (CID 115847237) is 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine is CCNC(CC1CCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine?
The InChIKey is LGPJOIJXGSGBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-18-15(9-11-5-3-4-6-11)13-8-7-12(17)10-14(13)16/h7-8,10-11,15,18H,2-6,9H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine?
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 115847237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).