5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline

C16H17Br2NO2 — CID 43787810

IUPAC5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cc(Br)c(CNc2cc(Br)ccc2C)cc1OC
InChIInChI=1S/C16H17Br2NO2/c1-10-4-5-12(17)7-14(10)19-9-11-6-15(20-2)16(21-3)8-13(11)18/h4-8,19H,9H2,1-3H3
InChIKeyIOYGEZILQKZZIK-UHFFFAOYSA-N
MW415.13 g/mol
LogP5.15
Rot. Bonds5

About 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline

5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline (PubChem CID 43787810) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
PubChem CID43787810
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cc(Br)c(CNc2cc(Br)ccc2C)cc1OC
InChIInChI=1S/C16H17Br2NO2/c1-10-4-5-12(17)7-14(10)19-9-11-6-15(20-2)16(21-3)8-13(11)18/h4-8,19H,9H2,1-3H3
InChIKeyIOYGEZILQKZZIK-UHFFFAOYSA-N
XLogP5.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.13
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43229655
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 78841896
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
4-[(5-bromo-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952954
5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
CID 102833355
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline (CID 43787810) is 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline is COc1cc(Br)c(CNc2cc(Br)ccc2C)cc1OC.
What is the InChIKey of 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline?
The InChIKey is IOYGEZILQKZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-10-4-5-12(17)7-14(10)19-9-11-6-15(20-2)16(21-3)8-13(11)18/h4-8,19H,9H2,1-3H3.
What are the key properties of 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline?
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline has a molecular weight of 415.13 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43787810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).