2-(benzylamino)-4-bromobenzonitrile

C14H11BrN2 — CID 24903092

IUPAC2-(benzylamino)-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1NCc1ccccc1
InChIInChI=1S/C14H11BrN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKeyGXCYWVRKRKIWLV-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.93
Rot. Bonds3

About 2-(benzylamino)-4-bromobenzonitrile

2-(benzylamino)-4-bromobenzonitrile (PubChem CID 24903092) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(benzylamino)-4-bromobenzonitrile.

Molecular Properties

Compound Name2-(benzylamino)-4-bromobenzonitrile
PubChem CID24903092
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(benzylamino)-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1NCc1ccccc1
InChIInChI=1S/C14H11BrN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKeyGXCYWVRKRKIWLV-UHFFFAOYSA-N
XLogP3.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(benzylamino)-4-bromobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(4-methylsulfanylphenyl)methylamino]benzonitrile
CID 107797419
2-(benzylamino)-4-chlorobenzonitrile
CID 43681577
2-[(2-aminophenyl)methylamino]-4-bromobenzonitrile
CID 114906877
4-bromo-2-[(3-bromo-4-chlorophenyl)methylamino]benzonitrile
CID 107797752
4-bromo-2-(naphthalen-1-ylmethylamino)benzonitrile
CID 114901772
2-(benzylamino)-4-(trifluoromethyl)benzonitrile
CID 155452882
4-bromo-2-[(2-methoxyphenyl)methylamino]benzonitrile
CID 24903115
4-bromo-2-[(1-methylpyrrol-2-yl)methylamino]benzonitrile
CID 107797406
4-bromo-2-[(4-bromo-3-nitrophenyl)methylamino]benzonitrile
CID 107797243
5-bromo-2-[(3-cyanophenyl)methylamino]benzonitrile
CID 82708745
2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride
CID 155894207
methyl 2-[(5-bromo-2-cyanoanilino)methyl]benzoate
CID 107797425

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-bromobenzonitrile?
The IUPAC name of 2-(benzylamino)-4-bromobenzonitrile (CID 24903092) is 2-(benzylamino)-4-bromobenzonitrile.
What is the SMILES notation for 2-(benzylamino)-4-bromobenzonitrile?
The canonical SMILES for 2-(benzylamino)-4-bromobenzonitrile is N#Cc1ccc(Br)cc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-bromobenzonitrile?
The InChIKey is GXCYWVRKRKIWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2.
What are the key properties of 2-(benzylamino)-4-bromobenzonitrile?
2-(benzylamino)-4-bromobenzonitrile has a molecular weight of 287.16 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-bromobenzonitrile is sourced from PubChem (CID 24903092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).