2-(3-bromo-4-methylanilino)benzonitrile

C14H11BrN2 — CID 63512186

IUPAC2-(3-bromo-4-methylanilino)benzonitrile
SMILESCc1ccc(Nc2ccccc2C#N)cc1Br
InChIInChI=1S/C14H11BrN2/c1-10-6-7-12(8-13(10)15)17-14-5-3-2-4-11(14)9-16/h2-8,17H,1H3
InChIKeyBNPRSYXREQVVSA-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.37
Rot. Bonds2

About 2-(3-bromo-4-methylanilino)benzonitrile

2-(3-bromo-4-methylanilino)benzonitrile (PubChem CID 63512186) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)benzonitrile
PubChem CID63512186
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(3-bromo-4-methylanilino)benzonitrile
SMILESCc1ccc(Nc2ccccc2C#N)cc1Br
InChIInChI=1S/C14H11BrN2/c1-10-6-7-12(8-13(10)15)17-14-5-3-2-4-11(14)9-16/h2-8,17H,1H3
InChIKeyBNPRSYXREQVVSA-UHFFFAOYSA-N
XLogP4.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylanilino)-5-nitrobenzonitrile
CID 115501207
2-N-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827
2-(2-bromoanilino)benzonitrile
CID 28602037
2-[3-(methylamino)anilino]benzonitrile
CID 117027188
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
5-bromo-2-(3,4-dimethylanilino)benzonitrile
CID 114890407
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 28517433
2-amino-5-(2-methylanilino)benzonitrile
CID 113323831
2-(3,4-diethoxyanilino)benzonitrile
CID 28601733
2-amino-3-(3-bromo-4-methoxyanilino)benzonitrile
CID 104716862

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)benzonitrile?
The IUPAC name of 2-(3-bromo-4-methylanilino)benzonitrile (CID 63512186) is 2-(3-bromo-4-methylanilino)benzonitrile.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)benzonitrile?
The canonical SMILES for 2-(3-bromo-4-methylanilino)benzonitrile is Cc1ccc(Nc2ccccc2C#N)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)benzonitrile?
The InChIKey is BNPRSYXREQVVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-6-7-12(8-13(10)15)17-14-5-3-2-4-11(14)9-16/h2-8,17H,1H3.
What are the key properties of 2-(3-bromo-4-methylanilino)benzonitrile?
2-(3-bromo-4-methylanilino)benzonitrile has a molecular weight of 287.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)benzonitrile is sourced from PubChem (CID 63512186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).