2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine

C14H15BrN2 — CID 107633682

IUPAC2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1cccc(Br)c1C
InChIInChI=1S/C14H15BrN2/c1-9-5-3-7-12(16)14(9)17-13-8-4-6-11(15)10(13)2/h3-8,17H,16H2,1-2H3
InChIKeyNXHINHYSBUIURA-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.39
Rot. Bonds2

About 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine

2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 107633682) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
PubChem CID107633682
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1cccc(Br)c1C
InChIInChI=1S/C14H15BrN2/c1-9-5-3-7-12(16)14(9)17-13-8-4-6-11(15)10(13)2/h3-8,17H,16H2,1-2H3
InChIKeyNXHINHYSBUIURA-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.39
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-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
CID 115550238
methyl 3-amino-2-(3-bromo-2-methylanilino)benzoate
CID 107637742
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine
CID 107633766
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
CID 107630212
2-hydrazinyl-3-methylaniline
CID 118990747
N,3-dibromo-2-methylaniline
CID 155755469
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine (CID 107633682) is 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1Nc1cccc(Br)c1C.
What is the InChIKey of 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is NXHINHYSBUIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-9-5-3-7-12(16)14(9)17-13-8-4-6-11(15)10(13)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine?
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine has a molecular weight of 291.19 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 107633682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).