2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile

C13H16Cl2N2 — CID 84757701

IUPAC2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
SMILESCCCCN(C)C(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2/c1-3-4-7-17(2)13(9-16)11-6-5-10(14)8-12(11)15/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyUZVKVQXSSHOWFO-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.29
Rot. Bonds5

About 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile

2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile (PubChem CID 84757701) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
PubChem CID84757701
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
SMILESCCCCN(C)C(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2/c1-3-4-7-17(2)13(9-16)11-6-5-10(14)8-12(11)15/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyUZVKVQXSSHOWFO-UHFFFAOYSA-N
XLogP4.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(methyl)amino]-2-(3,4-dichlorophenyl)acetonitrile
CID 84757704
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
CID 84757356
2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile
CID 84756999
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
ethyl 3-[[(5-chloro-2-hydroxyphenyl)-cyanomethyl]-methylamino]propanoate
CID 84757908
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
2-[butyl(methyl)amino]-2-[4-(diethylaminomethyl)phenyl]acetonitrile
CID 84757721
2-(4-chloro-2-fluorophenyl)hexanenitrile
CID 56604891
2-(2,4-dichlorophenyl)-3-oxo-4-propylheptanenitrile
CID 82985528

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile (CID 84757701) is 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile is CCCCN(C)C(C#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
The InChIKey is UZVKVQXSSHOWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c1-3-4-7-17(2)13(9-16)11-6-5-10(14)8-12(11)15/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile has a molecular weight of 271.19 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 84757701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).