2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline

C15H15Br2NO2 — CID 107599146

IUPAC2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C15H15Br2NO2/c1-19-11-5-7-12(8-6-11)20-10-9-18-15-13(16)3-2-4-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyVFNKBCQNBCYSQD-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.71
Rot. Bonds6

About 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline

2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline (PubChem CID 107599146) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline
PubChem CID107599146
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C15H15Br2NO2/c1-19-11-5-7-12(8-6-11)20-10-9-18-15-13(16)3-2-4-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyVFNKBCQNBCYSQD-UHFFFAOYSA-N
XLogP4.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.71
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

4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
2,6-dibromo-N-[(4-butoxyphenyl)methyl]aniline
CID 107596913
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
3-bromo-N-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)aniline
CID 63491176
5-bromo-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 107592056
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
3-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 54797152
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031154
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline (CID 107599146) is 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline is COc1ccc(OCCNc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The InChIKey is VFNKBCQNBCYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-19-11-5-7-12(8-6-11)20-10-9-18-15-13(16)3-2-4-14(15)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline has a molecular weight of 401.10 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 107599146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).