5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile

C16H15BrN2 — CID 114890619

IUPAC5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
SMILESCCc1ccc(N(C)c2ccc(Br)cc2C#N)cc1
InChIInChI=1S/C16H15BrN2/c1-3-12-4-7-15(8-5-12)19(2)16-9-6-14(17)10-13(16)11-18/h4-10H,3H2,1-2H3
InChIKeyTYPQVLPWVRRPOP-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.65
Rot. Bonds3

About 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile

5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile (PubChem CID 114890619) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
PubChem CID114890619
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
SMILESCCc1ccc(N(C)c2ccc(Br)cc2C#N)cc1
InChIInChI=1S/C16H15BrN2/c1-3-12-4-7-15(8-5-12)19(2)16-9-6-14(17)10-13(16)11-18/h4-10H,3H2,1-2H3
InChIKeyTYPQVLPWVRRPOP-UHFFFAOYSA-N
XLogP4.65
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
CID 114890310
5-bromo-2-(4-ethyl-N-methylanilino)benzoic acid
CID 114895690
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
5-bromo-2-(N,2,4-trimethylanilino)benzonitrile
CID 114890621
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
CID 114890449
5-amino-2-(N-methylanilino)benzonitrile
CID 61285979
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
CID 59418663
2-[(2-aminophenyl)methyl-ethylamino]-5-bromobenzonitrile
CID 114895090
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile?
The IUPAC name of 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile (CID 114890619) is 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile.
What is the SMILES notation for 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile?
The canonical SMILES for 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile is CCc1ccc(N(C)c2ccc(Br)cc2C#N)cc1.
What is the InChIKey of 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile?
The InChIKey is TYPQVLPWVRRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-3-12-4-7-15(8-5-12)19(2)16-9-6-14(17)10-13(16)11-18/h4-10H,3H2,1-2H3.
What are the key properties of 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile?
5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile has a molecular weight of 315.21 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile is sourced from PubChem (CID 114890619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).