3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile

C17H15Cl2N — CID 82139465

IUPAC3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
SMILESCc1ccc(C)c(C(C#N)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2N/c1-11-6-7-12(2)14(8-11)13(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,13H,9H2,1-2H3
InChIKeyPCYDNHJEANJVSP-UHFFFAOYSA-N
MW304.22 g/mol
LogP5.46
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile

3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile (PubChem CID 82139465) has the molecular formula C17H15Cl2N and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
PubChem CID82139465
Molecular FormulaC17H15Cl2N
Molecular Weight304.22 g/mol
Exact Mass303.06
IUPAC Name3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
SMILESCc1ccc(C)c(C(C#N)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2N/c1-11-6-7-12(2)14(8-11)13(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,13H,9H2,1-2H3
InChIKeyPCYDNHJEANJVSP-UHFFFAOYSA-N
XLogP5.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 82140092
3-amino-2-(2,5-dimethylphenyl)propanenitrile
CID 82503364
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile
CID 82141328
2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
CID 82088876
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196
2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
CID 82139456
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
4-(2,5-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
CID 82137871
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
2-(2,5-dimethylphenyl)-5-phenoxypentanenitrile
CID 82137856

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile (CID 82139465) is 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile is Cc1ccc(C)c(C(C#N)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile?
The InChIKey is PCYDNHJEANJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N/c1-11-6-7-12(2)14(8-11)13(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,13H,9H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile?
3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile has a molecular weight of 304.22 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile is sourced from PubChem (CID 82139465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).