N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine

C20H19N — CID 123500021

IUPACN-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine
SMILESCc1ccccc1/N=C1\C=CCC(c2ccccc2)C=C1
InChIInChI=1S/C20H19N/c1-16-8-5-6-13-20(16)21-19-12-7-11-18(14-15-19)17-9-3-2-4-10-17/h2-10,12-15,18H,11H2,1H3/b21-19+
InChIKeyNJYKSXGRWDFBLX-XUTLUUPISA-N
MW273.38 g/mol
LogP5.37
Rot. Bonds2

About N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine

N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine (PubChem CID 123500021) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine
PubChem CID123500021
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine
SMILESCc1ccccc1/N=C1\C=CCC(c2ccccc2)C=C1
InChIInChI=1S/C20H19N/c1-16-8-5-6-13-20(16)21-19-12-7-11-18(14-15-19)17-9-3-2-4-10-17/h2-10,12-15,18H,11H2,1H3/b21-19+
InChIKeyNJYKSXGRWDFBLX-XUTLUUPISA-N
XLogP5.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine?
The IUPAC name of N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine (CID 123500021) is N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine is Cc1ccccc1/N=C1\C=CCC(c2ccccc2)C=C1.
What is the InChIKey of N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine?
The InChIKey is NJYKSXGRWDFBLX-XUTLUUPISA-N. The full InChI is InChI=1S/C20H19N/c1-16-8-5-6-13-20(16)21-19-12-7-11-18(14-15-19)17-9-3-2-4-10-17/h2-10,12-15,18H,11H2,1H3/b21-19+.
What are the key properties of N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine?
N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine has a molecular weight of 273.38 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123500021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).