N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine

C15H20Br3NO — CID 79573640

IUPACN-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C15H20Br3NO/c1-2-19-14-5-3-4-10(14)6-7-20-15-12(17)8-11(16)9-13(15)18/h8-10,14,19H,2-7H2,1H3
InChIKeyIHSQZCHZDLMWBX-UHFFFAOYSA-N
MW470.04 g/mol
LogP5.52
Rot. Bonds6

About N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine (PubChem CID 79573640) has the molecular formula C15H20Br3NO and a molecular weight of 470.04 g/mol. Its IUPAC name is N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine
PubChem CID79573640
Molecular FormulaC15H20Br3NO
Molecular Weight470.04 g/mol
Exact Mass466.91
IUPAC NameN-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C15H20Br3NO/c1-2-19-14-5-3-4-10(14)6-7-20-15-12(17)8-11(16)9-13(15)18/h8-10,14,19H,2-7H2,1H3
InChIKeyIHSQZCHZDLMWBX-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.04
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine (CID 79573640) is N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCOc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine?
The InChIKey is IHSQZCHZDLMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br3NO/c1-2-19-14-5-3-4-10(14)6-7-20-15-12(17)8-11(16)9-13(15)18/h8-10,14,19H,2-7H2,1H3.
What are the key properties of N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine has a molecular weight of 470.04 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79573640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).