2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile

C17H15N3O — CID 13056636

IUPAC2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile
SMILESCN(C)c1ccc(C(C#N)(C#N)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H15N3O/c1-20(2)15-7-3-13(4-8-15)17(11-18,12-19)14-5-9-16(21)10-6-14/h3-10,21H,1-2H3
InChIKeyZBFVKHRPWJQALN-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.79
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile

2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile (PubChem CID 13056636) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile
PubChem CID13056636
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile
SMILESCN(C)c1ccc(C(C#N)(C#N)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H15N3O/c1-20(2)15-7-3-13(4-8-15)17(11-18,12-19)14-5-9-16(21)10-6-14/h3-10,21H,1-2H3
InChIKeyZBFVKHRPWJQALN-UHFFFAOYSA-N
XLogP2.79
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile (CID 13056636) is 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile is CN(C)c1ccc(C(C#N)(C#N)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile?
The InChIKey is ZBFVKHRPWJQALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20(2)15-7-3-13(4-8-15)17(11-18,12-19)14-5-9-16(21)10-6-14/h3-10,21H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile?
2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile has a molecular weight of 277.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile is sourced from PubChem (CID 13056636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).