4-[(2-cyclopropylphenyl)methylamino]benzonitrile

C17H16N2 — CID 79979257

IUPAC4-[(2-cyclopropylphenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccccc2C2CC2)cc1
InChIInChI=1S/C17H16N2/c18-11-13-5-9-16(10-6-13)19-12-15-3-1-2-4-17(15)14-7-8-14/h1-6,9-10,14,19H,7-8,12H2
InChIKeyREQHFQOOPACMBL-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.05
Rot. Bonds4

About 4-[(2-cyclopropylphenyl)methylamino]benzonitrile

4-[(2-cyclopropylphenyl)methylamino]benzonitrile (PubChem CID 79979257) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(2-cyclopropylphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-cyclopropylphenyl)methylamino]benzonitrile
PubChem CID79979257
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-[(2-cyclopropylphenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccccc2C2CC2)cc1
InChIInChI=1S/C17H16N2/c18-11-13-5-9-16(10-6-13)19-12-15-3-1-2-4-17(15)14-7-8-14/h1-6,9-10,14,19H,7-8,12H2
InChIKeyREQHFQOOPACMBL-UHFFFAOYSA-N
XLogP4.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropylphenyl)methylamino]benzonitrile?
The IUPAC name of 4-[(2-cyclopropylphenyl)methylamino]benzonitrile (CID 79979257) is 4-[(2-cyclopropylphenyl)methylamino]benzonitrile.
What is the SMILES notation for 4-[(2-cyclopropylphenyl)methylamino]benzonitrile?
The canonical SMILES for 4-[(2-cyclopropylphenyl)methylamino]benzonitrile is N#Cc1ccc(NCc2ccccc2C2CC2)cc1.
What is the InChIKey of 4-[(2-cyclopropylphenyl)methylamino]benzonitrile?
The InChIKey is REQHFQOOPACMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c18-11-13-5-9-16(10-6-13)19-12-15-3-1-2-4-17(15)14-7-8-14/h1-6,9-10,14,19H,7-8,12H2.
What are the key properties of 4-[(2-cyclopropylphenyl)methylamino]benzonitrile?
4-[(2-cyclopropylphenyl)methylamino]benzonitrile has a molecular weight of 248.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropylphenyl)methylamino]benzonitrile is sourced from PubChem (CID 79979257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).