4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile

C13H15BrN2O — CID 114905279

IUPAC4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
SMILESN#Cc1ccc(Br)cc1NC1CCCCC1O
InChIInChI=1S/C13H15BrN2O/c14-10-6-5-9(8-15)12(7-10)16-11-3-1-2-4-13(11)17/h5-7,11,13,16-17H,1-4H2
InChIKeyBRZMLFCKNBXMOT-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.04
Rot. Bonds2

About 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile

4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile (PubChem CID 114905279) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
PubChem CID114905279
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
SMILESN#Cc1ccc(Br)cc1NC1CCCCC1O
InChIInChI=1S/C13H15BrN2O/c14-10-6-5-9(8-15)12(7-10)16-11-3-1-2-4-13(11)17/h5-7,11,13,16-17H,1-4H2
InChIKeyBRZMLFCKNBXMOT-UHFFFAOYSA-N
XLogP3.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile 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

2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-bromobenzonitrile
CID 102738833
2-[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]-4-bromobenzonitrile
CID 112740196
2-(5-bromo-2-cyanoanilino)cyclopentane-1-carboxylic acid
CID 114901056
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
4-bromo-2-(cyclohex-2-en-1-ylamino)benzonitrile
CID 107908502
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60883762
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
4-bromo-2-[(2,2-dimethylcyclopentyl)amino]benzonitrile
CID 114902013
3-(5-bromo-2-cyanoanilino)cyclohexane-1-carboxylic acid
CID 114900998
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile?
The IUPAC name of 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile (CID 114905279) is 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile?
The canonical SMILES for 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile is N#Cc1ccc(Br)cc1NC1CCCCC1O.
What is the InChIKey of 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile?
The InChIKey is BRZMLFCKNBXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-10-6-5-9(8-15)12(7-10)16-11-3-1-2-4-13(11)17/h5-7,11,13,16-17H,1-4H2.
What are the key properties of 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile?
4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile has a molecular weight of 295.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile is sourced from PubChem (CID 114905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).