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

C14H20Br3NO2 — CID 62572377

IUPAC4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H20Br3NO2/c1-2-19-7-4-3-5-18-6-8-20-14-12(16)9-11(15)10-13(14)17/h9-10,18H,2-8H2,1H3
InChIKeyYNDHEWKMSKDPIJ-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.76
Rot. Bonds10

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

4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine (PubChem CID 62572377) has the molecular formula C14H20Br3NO2 and a molecular weight of 474.03 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
PubChem CID62572377
Molecular FormulaC14H20Br3NO2
Molecular Weight474.03 g/mol
Exact Mass470.90
IUPAC Name4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H20Br3NO2/c1-2-19-7-4-3-5-18-6-8-20-14-12(16)9-11(15)10-13(14)17/h9-10,18H,2-8H2,1H3
InChIKeyYNDHEWKMSKDPIJ-UHFFFAOYSA-N
XLogP4.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine
CID 63507010
N-[(3,5-dibromo-2-propoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 29224940
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 79406822
N-(2-methylpropyl)-4-(2,4,6-tribromophenoxy)butan-1-amine
CID 63505697
N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115402825
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
N-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 107726662
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
2-butoxy-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]ethanamine
CID 63452839

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine (CID 62572377) is 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine is CCOCCCCNCCOc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine?
The InChIKey is YNDHEWKMSKDPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br3NO2/c1-2-19-7-4-3-5-18-6-8-20-14-12(16)9-11(15)10-13(14)17/h9-10,18H,2-8H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine?
4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine has a molecular weight of 474.03 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 62572377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).