2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline

C15H15Br2NO2 — CID 43683051

IUPAC2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C15H15Br2NO2/c1-19-14-6-3-10(7-15(14)20-2)9-18-13-5-4-11(16)8-12(13)17/h3-8,18H,9H2,1-2H3
InChIKeyINHQBPBRGVBQIW-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.84
Rot. Bonds5

About 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline

2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline (PubChem CID 43683051) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
PubChem CID43683051
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C15H15Br2NO2/c1-19-14-6-3-10(7-15(14)20-2)9-18-13-5-4-11(16)8-12(13)17/h3-8,18H,9H2,1-2H3
InChIKeyINHQBPBRGVBQIW-UHFFFAOYSA-N
XLogP4.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]aniline
CID 43683217
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
5-[(2,5-dibromoanilino)methyl]-2-methoxybenzonitrile
CID 65341283
4-bromo-1-N-[(3-ethyl-4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115125451
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 1115726
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline (CID 43683051) is 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(Br)cc2Br)cc1OC.
What is the InChIKey of 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline?
The InChIKey is INHQBPBRGVBQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-19-14-6-3-10(7-15(14)20-2)9-18-13-5-4-11(16)8-12(13)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline?
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline has a molecular weight of 401.10 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 43683051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).