2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine

C15H17BrN2 — CID 115126652

IUPAC2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2cc(Br)ccc2C)cc1C
InChIInChI=1S/C15H17BrN2/c1-9-4-5-12(16)8-14(9)18-15-7-11(3)10(2)6-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyUBOSAKOGVHFDEW-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.70
Rot. Bonds2

About 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine

2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine (PubChem CID 115126652) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
PubChem CID115126652
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2cc(Br)ccc2C)cc1C
InChIInChI=1S/C15H17BrN2/c1-9-4-5-12(16)8-14(9)18-15-7-11(3)10(2)6-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyUBOSAKOGVHFDEW-UHFFFAOYSA-N
XLogP4.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.70
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-(5-bromo-2-methylphenyl)-4,5-difluorobenzene-1,2-diamine
CID 112751793
4-bromo-1-N-(5-bromo-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 66111692
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
3-(2-amino-5-bromoanilino)-4-methylbenzonitrile
CID 65342835
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43805901
4-bromo-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 65343203
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine (CID 115126652) is 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine is Cc1cc(N)c(Nc2cc(Br)ccc2C)cc1C.
What is the InChIKey of 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is UBOSAKOGVHFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-9-4-5-12(16)8-14(9)18-15-7-11(3)10(2)6-13(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine?
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine has a molecular weight of 305.22 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).