2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile

C15H21ClN2 — CID 63510789

IUPAC2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
SMILESCCC(CC)CN(CC)c1cccc(Cl)c1C#N
InChIInChI=1S/C15H21ClN2/c1-4-12(5-2)11-18(6-3)15-9-7-8-14(16)13(15)10-17/h7-9,12H,4-6,11H2,1-3H3
InChIKeyOSOKJVVUTXEIMG-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.47
Rot. Bonds6

About 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile

2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile (PubChem CID 63510789) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
PubChem CID63510789
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
SMILESCCC(CC)CN(CC)c1cccc(Cl)c1C#N
InChIInChI=1S/C15H21ClN2/c1-4-12(5-2)11-18(6-3)15-9-7-8-14(16)13(15)10-17/h7-9,12H,4-6,11H2,1-3H3
InChIKeyOSOKJVVUTXEIMG-UHFFFAOYSA-N
XLogP4.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140
2-(3-chloro-2-cyano-N-ethylanilino)acetamide
CID 103102393
2-[(4-aminophenyl)methyl-ethylamino]-6-chlorobenzonitrile
CID 62496514
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzonitrile
CID 62497864
2-bromo-6-[ethyl(2-methylbutyl)amino]benzonitrile
CID 114881182
2-chloro-4-[ethyl(2-ethylbutyl)amino]benzonitrile
CID 63510951
2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
2-bromo-6-[2-cyanopropyl(ethyl)amino]benzonitrile
CID 114880375
2-chloro-6-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 55211054
2-bromo-6-(diethylamino)benzonitrile
CID 75360863
2-(3-chloro-2-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 62495381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile?
The IUPAC name of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile (CID 63510789) is 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile is CCC(CC)CN(CC)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile?
The InChIKey is OSOKJVVUTXEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-4-12(5-2)11-18(6-3)15-9-7-8-14(16)13(15)10-17/h7-9,12H,4-6,11H2,1-3H3.
What are the key properties of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile?
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile has a molecular weight of 264.80 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile is sourced from PubChem (CID 63510789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).