(4-cyanophenyl)-methyl-phenylazanium

C14H13N2+ — CID 143684846

IUPAC(4-cyanophenyl)-methyl-phenylazanium
SMILESC[NH+](c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H12N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h2-10H,1H3/p+1
InChIKeyZAHZSQPRNHALQB-UHFFFAOYSA-O
MW209.27 g/mol
LogP2.04
Rot. Bonds2

About (4-cyanophenyl)-methyl-phenylazanium

(4-cyanophenyl)-methyl-phenylazanium (PubChem CID 143684846) has the molecular formula C14H13N2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is (4-cyanophenyl)-methyl-phenylazanium.

Molecular Properties

Compound Name(4-cyanophenyl)-methyl-phenylazanium
PubChem CID143684846
Molecular FormulaC14H13N2+
Molecular Weight209.27 g/mol
Exact Mass209.11
IUPAC Name(4-cyanophenyl)-methyl-phenylazanium
SMILESC[NH+](c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H12N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h2-10H,1H3/p+1
InChIKeyZAHZSQPRNHALQB-UHFFFAOYSA-O
XLogP2.04
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(14N)benzonitrile
CID 102268532
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
sodium;benzonitrile;ethane
CID 174741528
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
benzonitrile;hypoiodous acid
CID 174504508
acetaldehyde;benzonitrile;hydrate
CID 174391399
4-(1,2-dibromo-2-phenylethyl)benzonitrile
CID 13431601
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
bis(benzonitrile);dibromonickel
CID 22599309

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)-methyl-phenylazanium?
The IUPAC name of (4-cyanophenyl)-methyl-phenylazanium (CID 143684846) is (4-cyanophenyl)-methyl-phenylazanium.
What is the SMILES notation for (4-cyanophenyl)-methyl-phenylazanium?
The canonical SMILES for (4-cyanophenyl)-methyl-phenylazanium is C[NH+](c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of (4-cyanophenyl)-methyl-phenylazanium?
The InChIKey is ZAHZSQPRNHALQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h2-10H,1H3/p+1.
What are the key properties of (4-cyanophenyl)-methyl-phenylazanium?
(4-cyanophenyl)-methyl-phenylazanium has a molecular weight of 209.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)-methyl-phenylazanium is sourced from PubChem (CID 143684846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).