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

C14H19Br2NO — CID 63505937

IUPACN-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
SMILESBrc1cccc(Br)c1OCCNC1CCCCC1
InChIInChI=1S/C14H19Br2NO/c15-12-7-4-8-13(16)14(12)18-10-9-17-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2
InChIKeyUSAPTQXXCDQGED-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.51
Rot. Bonds5

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

N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine (PubChem CID 63505937) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
PubChem CID63505937
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC NameN-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
SMILESBrc1cccc(Br)c1OCCNC1CCCCC1
InChIInChI=1S/C14H19Br2NO/c15-12-7-4-8-13(16)14(12)18-10-9-17-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2
InChIKeyUSAPTQXXCDQGED-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.51
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]cyclopentanamine
CID 62599325
N-[2-(2-bromo-6-nitrophenoxy)ethyl]cyclopropanamine
CID 81499823
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
CID 62599154
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]cyclopentanamine
CID 63516390
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
CID 63507013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine (CID 63505937) is N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine is Brc1cccc(Br)c1OCCNC1CCCCC1.
What is the InChIKey of N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine?
The InChIKey is USAPTQXXCDQGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c15-12-7-4-8-13(16)14(12)18-10-9-17-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2.
What are the key properties of N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine?
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine has a molecular weight of 377.12 g/mol, XLogP of 4.51, 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]cyclohexanamine is sourced from PubChem (CID 63505937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).