2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline

C14H14Br2N2 — CID 86037301

IUPAC2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
SMILESCc1cc(N)c(-c2c(N)cc(C)cc2Br)c(Br)c1
InChIInChI=1S/C14H14Br2N2/c1-7-3-9(15)13(11(17)5-7)14-10(16)4-8(2)6-12(14)18/h3-6H,17-18H2,1-2H3
InChIKeyAQLBNYIJIQKFDD-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.66
Rot. Bonds1

About 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline

2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline (PubChem CID 86037301) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
PubChem CID86037301
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
SMILESCc1cc(N)c(-c2c(N)cc(C)cc2Br)c(Br)c1
InChIInChI=1S/C14H14Br2N2/c1-7-3-9(15)13(11(17)5-7)14-10(16)4-8(2)6-12(14)18/h3-6H,17-18H2,1-2H3
InChIKeyAQLBNYIJIQKFDD-UHFFFAOYSA-N
XLogP4.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
2-bromo-5-methylaniline;ethane
CID 170980783
3-bromo-2-methanimidoyl-5-methylaniline
CID 142352138
3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
CID 132603186
3-bromo-1-N,5-dimethylbenzene-1,2-diamine
CID 169191403
3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one
CID 165475746
3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
CID 154647746
3-bromo-5-methyl-2-(2-phenoxyethoxy)aniline
CID 54853009
2-amino-3-bromo-5-methylbenzoic acid
CID 2774400
7-bromo-5-methyl-2,3-dihydroinden-1-one
CID 71021865
2,5-dibromo-4-methylaniline
CID 15752291

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline?
The IUPAC name of 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline (CID 86037301) is 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline.
What is the SMILES notation for 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline?
The canonical SMILES for 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline is Cc1cc(N)c(-c2c(N)cc(C)cc2Br)c(Br)c1.
What is the InChIKey of 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline?
The InChIKey is AQLBNYIJIQKFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-7-3-9(15)13(11(17)5-7)14-10(16)4-8(2)6-12(14)18/h3-6H,17-18H2,1-2H3.
What are the key properties of 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline?
2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline has a molecular weight of 370.09 g/mol, XLogP of 4.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline is sourced from PubChem (CID 86037301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).