N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine

C13H17Br2NO — CID 62599325

IUPACN-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
SMILESBrc1cccc(Br)c1OCCNC1CCCC1
InChIInChI=1S/C13H17Br2NO/c14-11-6-3-7-12(15)13(11)17-9-8-16-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyJAOZVESRAPABAW-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.12
Rot. Bonds5

About N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine

N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine (PubChem CID 62599325) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
PubChem CID62599325
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC NameN-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
SMILESBrc1cccc(Br)c1OCCNC1CCCC1
InChIInChI=1S/C13H17Br2NO/c14-11-6-3-7-12(15)13(11)17-9-8-16-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyJAOZVESRAPABAW-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[2-(2-bromo-6-nitrophenoxy)ethyl]cyclopropanamine
CID 81499823
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
CID 62599154
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
N-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]cyclopentanamine
CID 63516390
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
CID 63507013
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine (CID 62599325) is N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine is Brc1cccc(Br)c1OCCNC1CCCC1.
What is the InChIKey of N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine?
The InChIKey is JAOZVESRAPABAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c14-11-6-3-7-12(15)13(11)17-9-8-16-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2.
What are the key properties of N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine?
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine has a molecular weight of 363.09 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine is sourced from PubChem (CID 62599325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).