2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine

C17H25BrFNO — CID 116762133

IUPAC2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)C1(OCC)CCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-20-16(17(21-4-2)9-5-6-10-17)12-13-11-14(18)7-8-15(13)19/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyUMXPTMCMABRAGW-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.46
Rot. Bonds7

About 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine

2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine (PubChem CID 116762133) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
PubChem CID116762133
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)C1(OCC)CCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-20-16(17(21-4-2)9-5-6-10-17)12-13-11-14(18)7-8-15(13)19/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyUMXPTMCMABRAGW-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 80684942
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
[1-(1-ethoxycyclopentyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105275708
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine (CID 116762133) is 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine is CCNC(Cc1cc(Br)ccc1F)C1(OCC)CCCC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
The InChIKey is UMXPTMCMABRAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-3-20-16(17(21-4-2)9-5-6-10-17)12-13-11-14(18)7-8-15(13)19/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine has a molecular weight of 358.30 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 116762133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).