2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline

C15H15Br2NO2 — CID 43736641

IUPAC2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(Br)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15Br2NO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17/h3-8,18H,9H2,1-2H3
InChIKeyMHMIBKFOJIVVIQ-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.84
Rot. Bonds5

About 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline

2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline (PubChem CID 43736641) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
PubChem CID43736641
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(Br)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15Br2NO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17/h3-8,18H,9H2,1-2H3
InChIKeyMHMIBKFOJIVVIQ-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

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
4-bromo-2,3-dichloro-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 107787753
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
2-bromo-6-[(2,4-dimethoxyphenyl)methylamino]benzonitrile
CID 114881040
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline?
The IUPAC name of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline (CID 43736641) is 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline is COc1ccc(CNc2cc(Br)ccc2Br)c(OC)c1.
What is the InChIKey of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline?
The InChIKey is MHMIBKFOJIVVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline?
2,5-dibromo-N-[(2,4-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 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 43736641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).