2-[4-(dipropylamino)phenyl]benzonitrile

C19H22N2 — CID 118401021

IUPAC2-[4-(dipropylamino)phenyl]benzonitrile
SMILESCCCN(CCC)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C19H22N2/c1-3-13-21(14-4-2)18-11-9-16(10-12-18)19-8-6-5-7-17(19)15-20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXRXMBURKAKVINS-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.85
Rot. Bonds6

About 2-[4-(dipropylamino)phenyl]benzonitrile

2-[4-(dipropylamino)phenyl]benzonitrile (PubChem CID 118401021) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(dipropylamino)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(dipropylamino)phenyl]benzonitrile
PubChem CID118401021
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[4-(dipropylamino)phenyl]benzonitrile
SMILESCCCN(CCC)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C19H22N2/c1-3-13-21(14-4-2)18-11-9-16(10-12-18)19-8-6-5-7-17(19)15-20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXRXMBURKAKVINS-UHFFFAOYSA-N
XLogP4.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dipropylamino)phenyl]benzonitrile?
The IUPAC name of 2-[4-(dipropylamino)phenyl]benzonitrile (CID 118401021) is 2-[4-(dipropylamino)phenyl]benzonitrile.
What is the SMILES notation for 2-[4-(dipropylamino)phenyl]benzonitrile?
The canonical SMILES for 2-[4-(dipropylamino)phenyl]benzonitrile is CCCN(CCC)c1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-(dipropylamino)phenyl]benzonitrile?
The InChIKey is XRXMBURKAKVINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-13-21(14-4-2)18-11-9-16(10-12-18)19-8-6-5-7-17(19)15-20/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[4-(dipropylamino)phenyl]benzonitrile?
2-[4-(dipropylamino)phenyl]benzonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylamino)phenyl]benzonitrile is sourced from PubChem (CID 118401021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).