[4-(2-cyanophenyl)phenyl]methylazanium

C14H13N2+ — CID 34364496

IUPAC[4-(2-cyanophenyl)phenyl]methylazanium
SMILESN#Cc1ccccc1-c1ccc(C[NH3+])cc1
InChIInChI=1S/C14H12N2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9,15H2/p+1
InChIKeyLRGAANMQNVMQFA-UHFFFAOYSA-O
MW209.27 g/mol
LogP1.97
Rot. Bonds2

About [4-(2-cyanophenyl)phenyl]methylazanium

[4-(2-cyanophenyl)phenyl]methylazanium (PubChem CID 34364496) has the molecular formula C14H13N2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is [4-(2-cyanophenyl)phenyl]methylazanium.

Molecular Properties

Compound Name[4-(2-cyanophenyl)phenyl]methylazanium
PubChem CID34364496
Molecular FormulaC14H13N2+
Molecular Weight209.27 g/mol
Exact Mass209.11
IUPAC Name[4-(2-cyanophenyl)phenyl]methylazanium
SMILESN#Cc1ccccc1-c1ccc(C[NH3+])cc1
InChIInChI=1S/C14H12N2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9,15H2/p+1
InChIKeyLRGAANMQNVMQFA-UHFFFAOYSA-O
XLogP1.97
TPSA51.43 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[[bis[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]phenyl]benzonitrile
CID 90994167
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
2-[4-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]benzonitrile
CID 176681364
2-[4-[(1S)-1-bromoethyl]phenyl]benzonitrile
CID 124563961
2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile
CID 139631641
2-[4-(dipropylamino)phenyl]benzonitrile
CID 118401021
2-phenylbenzonitrile;urea
CID 162064762
4-(2-cyanophenyl)benzenesulfinic acid
CID 166940723
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
2-(4-pent-1-en-2-ylphenyl)benzonitrile
CID 143621524

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyanophenyl)phenyl]methylazanium?
The IUPAC name of [4-(2-cyanophenyl)phenyl]methylazanium (CID 34364496) is [4-(2-cyanophenyl)phenyl]methylazanium.
What is the SMILES notation for [4-(2-cyanophenyl)phenyl]methylazanium?
The canonical SMILES for [4-(2-cyanophenyl)phenyl]methylazanium is N#Cc1ccccc1-c1ccc(C[NH3+])cc1.
What is the InChIKey of [4-(2-cyanophenyl)phenyl]methylazanium?
The InChIKey is LRGAANMQNVMQFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12N2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9,15H2/p+1.
What are the key properties of [4-(2-cyanophenyl)phenyl]methylazanium?
[4-(2-cyanophenyl)phenyl]methylazanium has a molecular weight of 209.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyanophenyl)phenyl]methylazanium is sourced from PubChem (CID 34364496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).