5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline

C15H16BrNO3 — CID 83141041

IUPAC5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
SMILESCOc1ccc(COc2c(Br)cccc2OC)cc1N
InChIInChI=1S/C15H16BrNO3/c1-18-13-7-6-10(8-12(13)17)9-20-15-11(16)4-3-5-14(15)19-2/h3-8H,9,17H2,1-2H3
InChIKeyPMSAEUYRQIYQLG-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.63
Rot. Bonds5

About 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline

5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline (PubChem CID 83141041) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
PubChem CID83141041
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
SMILESCOc1ccc(COc2c(Br)cccc2OC)cc1N
InChIInChI=1S/C15H16BrNO3/c1-18-13-7-6-10(8-12(13)17)9-20-15-11(16)4-3-5-14(15)19-2/h3-8H,9,17H2,1-2H3
InChIKeyPMSAEUYRQIYQLG-UHFFFAOYSA-N
XLogP3.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
CID 82828566
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
CID 83140412
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-nitroaniline
CID 83136857
2-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]aniline
CID 115557562
3-bromo-2-[(3,4-dimethoxyphenyl)methoxy]-5-fluoroaniline
CID 43379349
3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline
CID 43379169
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline?
The IUPAC name of 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline (CID 83141041) is 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline?
The canonical SMILES for 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline is COc1ccc(COc2c(Br)cccc2OC)cc1N.
What is the InChIKey of 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline?
The InChIKey is PMSAEUYRQIYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-18-13-7-6-10(8-12(13)17)9-20-15-11(16)4-3-5-14(15)19-2/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline?
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline has a molecular weight of 338.20 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline is sourced from PubChem (CID 83141041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).