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

C14H20Br3NO — CID 63507010

IUPACN-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H20Br3NO/c1-2-3-4-5-6-18-7-8-19-14-12(16)9-11(15)10-13(14)17/h9-10,18H,2-8H2,1H3
InChIKeyGKGLEMVEUNZHGJ-UHFFFAOYSA-N
MW458.03 g/mol
LogP5.52
Rot. Bonds9

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

N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine (PubChem CID 63507010) has the molecular formula C14H20Br3NO and a molecular weight of 458.03 g/mol. Its IUPAC name is N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine
PubChem CID63507010
Molecular FormulaC14H20Br3NO
Molecular Weight458.03 g/mol
Exact Mass454.91
IUPAC NameN-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H20Br3NO/c1-2-3-4-5-6-18-7-8-19-14-12(16)9-11(15)10-13(14)17/h9-10,18H,2-8H2,1H3
InChIKeyGKGLEMVEUNZHGJ-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.03
LogP ≤ 55.52
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

4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
CID 62572377
N-(2-methylpropyl)-4-(2,4,6-tribromophenoxy)butan-1-amine
CID 63505697
N-[(3,5-dibromo-4-heptoxyphenyl)methyl]ethanamine
CID 107742175
N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 115402876
N-[(3,5-dibromo-2-propoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 29224940
2-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]propan-2-amine
CID 63501413
2-[3-[(3,5-dibromo-2-propoxyphenyl)methylamino]propylamino]ethanol
CID 29241687
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297
3-[(3,5-dibromo-4-octoxyphenyl)methylamino]propylphosphonic acid
CID 10289318
2-butoxy-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]ethanamine
CID 63452839
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine (CID 63507010) is N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine is CCCCCCNCCOc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine?
The InChIKey is GKGLEMVEUNZHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br3NO/c1-2-3-4-5-6-18-7-8-19-14-12(16)9-11(15)10-13(14)17/h9-10,18H,2-8H2,1H3.
What are the key properties of N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine?
N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine has a molecular weight of 458.03 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 63507010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).