2-bromo-6-(diethylamino)benzonitrile

C11H13BrN2 — CID 75360863

IUPAC2-bromo-6-(diethylamino)benzonitrile
SMILESCCN(CC)c1cccc(Br)c1C#N
InChIInChI=1S/C11H13BrN2/c1-3-14(4-2)11-7-5-6-10(12)9(11)8-13/h5-7H,3-4H2,1-2H3
InChIKeyPNRILEQBGUNVBB-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.17
Rot. Bonds3

About 2-bromo-6-(diethylamino)benzonitrile

2-bromo-6-(diethylamino)benzonitrile (PubChem CID 75360863) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-bromo-6-(diethylamino)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(diethylamino)benzonitrile
PubChem CID75360863
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-bromo-6-(diethylamino)benzonitrile
SMILESCCN(CC)c1cccc(Br)c1C#N
InChIInChI=1S/C11H13BrN2/c1-3-14(4-2)11-7-5-6-10(12)9(11)8-13/h5-7H,3-4H2,1-2H3
InChIKeyPNRILEQBGUNVBB-UHFFFAOYSA-N
XLogP3.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[ethyl(2-methylbutyl)amino]benzonitrile
CID 114881182
2-bromo-6-[2-cyanopropyl(ethyl)amino]benzonitrile
CID 114880375
2-bromo-6-[ethyl(methyl)amino]benzonitrile
CID 114880583
2-[(4-aminophenyl)methyl-ethylamino]-6-bromobenzonitrile
CID 114887477
2-bromo-6-[propyl(prop-2-ynyl)amino]benzonitrile
CID 114881266
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
2-[3-bromo-N-(carboxymethyl)-2-cyanoanilino]acetic acid
CID 114880173
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-[methyl(1-methylsulfanylbutan-2-yl)amino]benzonitrile
CID 114881311
2-bromo-6-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 114880843
2-(3-bromo-N-butan-2-yl-2-cyanoanilino)acetic acid
CID 114880071
2-bromo-6-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644108

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(diethylamino)benzonitrile?
The IUPAC name of 2-bromo-6-(diethylamino)benzonitrile (CID 75360863) is 2-bromo-6-(diethylamino)benzonitrile.
What is the SMILES notation for 2-bromo-6-(diethylamino)benzonitrile?
The canonical SMILES for 2-bromo-6-(diethylamino)benzonitrile is CCN(CC)c1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-(diethylamino)benzonitrile?
The InChIKey is PNRILEQBGUNVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-3-14(4-2)11-7-5-6-10(12)9(11)8-13/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-bromo-6-(diethylamino)benzonitrile?
2-bromo-6-(diethylamino)benzonitrile has a molecular weight of 253.14 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(diethylamino)benzonitrile is sourced from PubChem (CID 75360863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).