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

C13H8Br3Cl2N — CID 63425740

IUPAC2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2c(Br)cc(Br)cc2Br)cc1Cl
InChIInChI=1S/C13H8Br3Cl2N/c14-8-4-9(15)13(10(16)5-8)19-6-7-1-2-11(17)12(18)3-7/h1-5,19H,6H2
InChIKeyUIBAVUAKPSEWRK-UHFFFAOYSA-N
MW488.83 g/mol
LogP6.89
Rot. Bonds3

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

2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline (PubChem CID 63425740) has the molecular formula C13H8Br3Cl2N and a molecular weight of 488.83 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
PubChem CID63425740
Molecular FormulaC13H8Br3Cl2N
Molecular Weight488.83 g/mol
Exact Mass484.76
IUPAC Name2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2c(Br)cc(Br)cc2Br)cc1Cl
InChIInChI=1S/C13H8Br3Cl2N/c14-8-4-9(15)13(10(16)5-8)19-6-7-1-2-11(17)12(18)3-7/h1-5,19H,6H2
InChIKeyUIBAVUAKPSEWRK-UHFFFAOYSA-N
XLogP6.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.83
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 107597647
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
CID 28991909
2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
CID 65022685
4-bromo-N-[(3-chloro-4-methylphenyl)methyl]-2,6-difluoroaniline
CID 106816892
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
N-(2-amino-4,6-dibromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63046307
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
3-[(2,4,6-tribromoanilino)methyl]benzonitrile
CID 28991857
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline (CID 63425740) is 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline is Clc1ccc(CNc2c(Br)cc(Br)cc2Br)cc1Cl.
What is the InChIKey of 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline?
The InChIKey is UIBAVUAKPSEWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3Cl2N/c14-8-4-9(15)13(10(16)5-8)19-6-7-1-2-11(17)12(18)3-7/h1-5,19H,6H2.
What are the key properties of 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline?
2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline has a molecular weight of 488.83 g/mol, XLogP of 6.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 63425740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).