4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine

C13H13BrN2 — CID 43436298

IUPAC4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccccc2Br)ccc1N
InChIInChI=1S/C13H13BrN2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3
InChIKeyLFKPWRIVORRXLA-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.08
Rot. Bonds2

About 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine

4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43436298) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
PubChem CID43436298
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccccc2Br)ccc1N
InChIInChI=1S/C13H13BrN2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3
InChIKeyLFKPWRIVORRXLA-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.08
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-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
4-N-(2-bromo-5-fluorophenyl)-2-methylbenzene-1,4-diamine
CID 107634431
2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
CID 43436248
3,4-dibromo-N-(2-bromophenyl)aniline
CID 101290777
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
4-(2-aminoanilino)-2-methylbenzenethiol
CID 174466890
2-methyl-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816588
4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107633687
N-[4-(aminomethyl)phenyl]-2-bromoaniline
CID 117027399
4-bromo-5-fluoro-1-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 66111335
2-amino-5-(2-methylanilino)benzonitrile
CID 113323831

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine (CID 43436298) is 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine is Cc1cc(Nc2ccccc2Br)ccc1N.
What is the InChIKey of 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is LFKPWRIVORRXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3.
What are the key properties of 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine?
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 277.17 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).