2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline

C15H14Br3NO2 — CID 28991723

IUPAC2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline
SMILESCOc1cc(CNc2c(Br)cc(Br)cc2Br)cc(OC)c1
InChIInChI=1S/C15H14Br3NO2/c1-20-11-3-9(4-12(7-11)21-2)8-19-15-13(17)5-10(16)6-14(15)18/h3-7,19H,8H2,1-2H3
InChIKeyDAWDXEUOTNXSHQ-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.60
Rot. Bonds5

About 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline

2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline (PubChem CID 28991723) has the molecular formula C15H14Br3NO2 and a molecular weight of 479.99 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline
PubChem CID28991723
Molecular FormulaC15H14Br3NO2
Molecular Weight479.99 g/mol
Exact Mass476.86
IUPAC Name2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline
SMILESCOc1cc(CNc2c(Br)cc(Br)cc2Br)cc(OC)c1
InChIInChI=1S/C15H14Br3NO2/c1-20-11-3-9(4-12(7-11)21-2)8-19-15-13(17)5-10(16)6-14(15)18/h3-7,19H,8H2,1-2H3
InChIKeyDAWDXEUOTNXSHQ-UHFFFAOYSA-N
XLogP5.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2,6-dibromo-N-[(3-methoxy-5-nitrophenyl)methyl]aniline
CID 107598994
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547207
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
CID 28991909
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 63425740
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline (CID 28991723) is 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline is COc1cc(CNc2c(Br)cc(Br)cc2Br)cc(OC)c1.
What is the InChIKey of 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline?
The InChIKey is DAWDXEUOTNXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO2/c1-20-11-3-9(4-12(7-11)21-2)8-19-15-13(17)5-10(16)6-14(15)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline?
2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline has a molecular weight of 479.99 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 28991723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).