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

C13H9Br2Cl2N — CID 107597647

IUPAC2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2c(Br)cccc2Br)cc1Cl
InChIInChI=1S/C13H9Br2Cl2N/c14-9-2-1-3-10(15)13(9)18-7-8-4-5-11(16)12(17)6-8/h1-6,18H,7H2
InChIKeyRJJZSKYDZAWGGN-UHFFFAOYSA-N
MW409.94 g/mol
LogP6.13
Rot. Bonds3

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

2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline (PubChem CID 107597647) has the molecular formula C13H9Br2Cl2N and a molecular weight of 409.94 g/mol. Its IUPAC name is 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
PubChem CID107597647
Molecular FormulaC13H9Br2Cl2N
Molecular Weight409.94 g/mol
Exact Mass406.85
IUPAC Name2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2c(Br)cccc2Br)cc1Cl
InChIInChI=1S/C13H9Br2Cl2N/c14-9-2-1-3-10(15)13(9)18-7-8-4-5-11(16)12(17)6-8/h1-6,18H,7H2
InChIKeyRJJZSKYDZAWGGN-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 63425740
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107597110
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
CID 65022685
1-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131
2,6-dibromo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107597318
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
CID 83235833
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline (CID 107597647) is 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline is Clc1ccc(CNc2c(Br)cccc2Br)cc1Cl.
What is the InChIKey of 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline?
The InChIKey is RJJZSKYDZAWGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2N/c14-9-2-1-3-10(15)13(9)18-7-8-4-5-11(16)12(17)6-8/h1-6,18H,7H2.
What are the key properties of 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline?
2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline has a molecular weight of 409.94 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 107597647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).