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

C11H11BrN2 — CID 107276281

IUPAC2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
SMILESCC1CC1Nc1ccc(C#N)c(Br)c1
InChIInChI=1S/C11H11BrN2/c1-7-4-11(7)14-9-3-2-8(6-13)10(12)5-9/h2-3,5,7,11,14H,4H2,1H3
InChIKeyFAFCYKRZEYBWTJ-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.14
Rot. Bonds2

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

2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile (PubChem CID 107276281) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
PubChem CID107276281
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
SMILESCC1CC1Nc1ccc(C#N)c(Br)c1
InChIInChI=1S/C11H11BrN2/c1-7-4-11(7)14-9-3-2-8(6-13)10(12)5-9/h2-3,5,7,11,14H,4H2,1H3
InChIKeyFAFCYKRZEYBWTJ-UHFFFAOYSA-N
XLogP3.14
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 81278621
2-bromo-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 107276202
2-bromo-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzonitrile
CID 107276790
2-bromo-4-(cyclopent-3-en-1-ylamino)benzonitrile
CID 107276709
2-bromo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 107276645
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418654
2-bromo-4-(2-ethylbutylamino)benzonitrile
CID 107276756
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
2-bromo-4-(1-cyclohexylethylamino)benzonitrile
CID 107276282
2-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]benzonitrile
CID 112736065
2-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107276271

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile?
The IUPAC name of 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile (CID 107276281) is 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile?
The canonical SMILES for 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile is CC1CC1Nc1ccc(C#N)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile?
The InChIKey is FAFCYKRZEYBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-4-11(7)14-9-3-2-8(6-13)10(12)5-9/h2-3,5,7,11,14H,4H2,1H3.
What are the key properties of 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile?
2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile has a molecular weight of 251.13 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile is sourced from PubChem (CID 107276281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).