3-(2,5-dimethylphenyl)-2-phenylpropanenitrile

C17H17N — CID 82141321

IUPAC3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
SMILESCc1ccc(C)c(CC(C#N)c2ccccc2)c1
InChIInChI=1S/C17H17N/c1-13-8-9-14(2)16(10-13)11-17(12-18)15-6-4-3-5-7-15/h3-10,17H,11H2,1-2H3
InChIKeySNLRJIBZMRXPHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.15
Rot. Bonds3

About 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile

3-(2,5-dimethylphenyl)-2-phenylpropanenitrile (PubChem CID 82141321) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
PubChem CID82141321
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
SMILESCc1ccc(C)c(CC(C#N)c2ccccc2)c1
InChIInChI=1S/C17H17N/c1-13-8-9-14(2)16(10-13)11-17(12-18)15-6-4-3-5-7-15/h3-10,17H,11H2,1-2H3
InChIKeySNLRJIBZMRXPHD-UHFFFAOYSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dimethylphenyl)-2-(4-fluorophenyl)propanenitrile
CID 82141326
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
4-(2,5-dimethylphenoxy)-2-phenylbutanenitrile
CID 82136950
5-[1-cyano-2-(2,5-dimethylphenyl)ethyl]furan-2-carboxylic acid
CID 82141341
2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile
CID 82141328
3-(2-chlorophenyl)-2-phenylpropanenitrile
CID 82084814
3-(6-methyl-1,2-benzoxazol-3-yl)-2-phenylpropanenitrile
CID 58451352
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
2-[2-bromo-2-(3-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63531076
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793
2-(2,5-dimethylphenyl)-1-naphthalen-2-ylethanamine
CID 63416579
3-(4-amino-2-chlorophenyl)-2-phenylpropanenitrile
CID 134093171

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile?
The IUPAC name of 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile (CID 82141321) is 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile?
The canonical SMILES for 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile is Cc1ccc(C)c(CC(C#N)c2ccccc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile?
The InChIKey is SNLRJIBZMRXPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-13-8-9-14(2)16(10-13)11-17(12-18)15-6-4-3-5-7-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile?
3-(2,5-dimethylphenyl)-2-phenylpropanenitrile has a molecular weight of 235.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-2-phenylpropanenitrile is sourced from PubChem (CID 82141321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).