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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Related Compounds

2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine
CID 63403341
N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572317
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine
CID 79572805
2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
2-(2-butan-2-yloxyethyl)-N-ethylcyclopentan-1-amine
CID 79572814
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-ethyl-2-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 103177135
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
CID 29225012
4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
CID 63507013

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).