2-bromo-4-(1-cyclohexylethylamino)benzonitrile

C15H19BrN2 — CID 107276282

IUPAC2-bromo-4-(1-cyclohexylethylamino)benzonitrile
SMILESCC(Nc1ccc(C#N)c(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2/c1-11(12-5-3-2-4-6-12)18-14-8-7-13(10-17)15(16)9-14/h7-9,11-12,18H,2-6H2,1H3
InChIKeyYTJHBAFWZOLPOH-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.70
Rot. Bonds3

About 2-bromo-4-(1-cyclohexylethylamino)benzonitrile

2-bromo-4-(1-cyclohexylethylamino)benzonitrile (PubChem CID 107276282) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 2-bromo-4-(1-cyclohexylethylamino)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(1-cyclohexylethylamino)benzonitrile
PubChem CID107276282
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name2-bromo-4-(1-cyclohexylethylamino)benzonitrile
SMILESCC(Nc1ccc(C#N)c(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2/c1-11(12-5-3-2-4-6-12)18-14-8-7-13(10-17)15(16)9-14/h7-9,11-12,18H,2-6H2,1H3
InChIKeyYTJHBAFWZOLPOH-UHFFFAOYSA-N
XLogP4.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
CID 107788205
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
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4-(1-cyclopropylethylamino)benzene-1,2-dicarbonitrile
CID 104819789
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
4-bromo-N-(1-cyclohexylethyl)-3-nitroaniline
CID 79767906
4-chloro-2-(1-cyclopentylethylamino)benzonitrile
CID 62632984
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-cyclohexylethylamino)benzonitrile?
The IUPAC name of 2-bromo-4-(1-cyclohexylethylamino)benzonitrile (CID 107276282) is 2-bromo-4-(1-cyclohexylethylamino)benzonitrile.
What is the SMILES notation for 2-bromo-4-(1-cyclohexylethylamino)benzonitrile?
The canonical SMILES for 2-bromo-4-(1-cyclohexylethylamino)benzonitrile is CC(Nc1ccc(C#N)c(Br)c1)C1CCCCC1.
What is the InChIKey of 2-bromo-4-(1-cyclohexylethylamino)benzonitrile?
The InChIKey is YTJHBAFWZOLPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-11(12-5-3-2-4-6-12)18-14-8-7-13(10-17)15(16)9-14/h7-9,11-12,18H,2-6H2,1H3.
What are the key properties of 2-bromo-4-(1-cyclohexylethylamino)benzonitrile?
2-bromo-4-(1-cyclohexylethylamino)benzonitrile has a molecular weight of 307.24 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-cyclohexylethylamino)benzonitrile is sourced from PubChem (CID 107276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).