2-bromo-4-(dicyclopropylmethylamino)benzonitrile

C14H15BrN2 — CID 107276087

IUPAC2-bromo-4-(dicyclopropylmethylamino)benzonitrile
SMILESN#Cc1ccc(NC(C2CC2)C2CC2)cc1Br
InChIInChI=1S/C14H15BrN2/c15-13-7-12(6-5-11(13)8-16)17-14(9-1-2-9)10-3-4-10/h5-7,9-10,14,17H,1-4H2
InChIKeyKMLKOCFHVOPVKO-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.92
Rot. Bonds4

About 2-bromo-4-(dicyclopropylmethylamino)benzonitrile

2-bromo-4-(dicyclopropylmethylamino)benzonitrile (PubChem CID 107276087) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-4-(dicyclopropylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(dicyclopropylmethylamino)benzonitrile
PubChem CID107276087
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-bromo-4-(dicyclopropylmethylamino)benzonitrile
SMILESN#Cc1ccc(NC(C2CC2)C2CC2)cc1Br
InChIInChI=1S/C14H15BrN2/c15-13-7-12(6-5-11(13)8-16)17-14(9-1-2-9)10-3-4-10/h5-7,9-10,14,17H,1-4H2
InChIKeyKMLKOCFHVOPVKO-UHFFFAOYSA-N
XLogP3.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(1-cyclohexylethylamino)benzonitrile
CID 107276282
4-[(2-amino-2-cyclopropylethyl)amino]-2-bromobenzonitrile
CID 107280864
2-bromo-4-(1,3-dihydroxypropan-2-ylamino)benzonitrile
CID 107276450
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
CID 43362754
4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
CID 43680432
2-bromo-4-(cyclopent-3-en-1-ylamino)benzonitrile
CID 107276709
4-(1-cyclopropylethylamino)benzene-1,2-dicarbonitrile
CID 104819789
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
CID 112743249
2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 107276281
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
CID 112736075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(dicyclopropylmethylamino)benzonitrile?
The IUPAC name of 2-bromo-4-(dicyclopropylmethylamino)benzonitrile (CID 107276087) is 2-bromo-4-(dicyclopropylmethylamino)benzonitrile.
What is the SMILES notation for 2-bromo-4-(dicyclopropylmethylamino)benzonitrile?
The canonical SMILES for 2-bromo-4-(dicyclopropylmethylamino)benzonitrile is N#Cc1ccc(NC(C2CC2)C2CC2)cc1Br.
What is the InChIKey of 2-bromo-4-(dicyclopropylmethylamino)benzonitrile?
The InChIKey is KMLKOCFHVOPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-13-7-12(6-5-11(13)8-16)17-14(9-1-2-9)10-3-4-10/h5-7,9-10,14,17H,1-4H2.
What are the key properties of 2-bromo-4-(dicyclopropylmethylamino)benzonitrile?
2-bromo-4-(dicyclopropylmethylamino)benzonitrile has a molecular weight of 291.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(dicyclopropylmethylamino)benzonitrile is sourced from PubChem (CID 107276087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).