2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile

C16H15BrN2 — CID 114880413

IUPAC2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
SMILESCCc1cccc(C)c1Nc1cccc(Br)c1C#N
InChIInChI=1S/C16H15BrN2/c1-3-12-7-4-6-11(2)16(12)19-15-9-5-8-14(17)13(15)10-18/h4-9,19H,3H2,1-2H3
InChIKeyCRNFJTWLSVYQQQ-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.94
Rot. Bonds3

About 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile

2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile (PubChem CID 114880413) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
PubChem CID114880413
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
SMILESCCc1cccc(C)c1Nc1cccc(Br)c1C#N
InChIInChI=1S/C16H15BrN2/c1-3-12-7-4-6-11(2)16(12)19-15-9-5-8-14(17)13(15)10-18/h4-9,19H,3H2,1-2H3
InChIKeyCRNFJTWLSVYQQQ-UHFFFAOYSA-N
XLogP4.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 114881261
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile
CID 107933149
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
2-bromo-6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 114880753
2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 114881036
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-(3-iodo-4-methylanilino)benzonitrile
CID 114257443
2-bromo-4-(2,6-diethylanilino)-3-fluorobenzonitrile
CID 107533023
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-bromo-6-[2-(ethylamino)ethylamino]benzonitrile
CID 114884762
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile?
The IUPAC name of 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile (CID 114880413) is 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile.
What is the SMILES notation for 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile?
The canonical SMILES for 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile is CCc1cccc(C)c1Nc1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile?
The InChIKey is CRNFJTWLSVYQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-3-12-7-4-6-11(2)16(12)19-15-9-5-8-14(17)13(15)10-18/h4-9,19H,3H2,1-2H3.
What are the key properties of 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile?
2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile has a molecular weight of 315.21 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile is sourced from PubChem (CID 114880413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).