N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine

C21H21N — CID 166885812

IUPACN-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine
SMILESC/C(=N\c1ccccc1Cc1ccccc1)C1C=CC=CC1
InChIInChI=1S/C21H21N/c1-17(19-12-6-3-7-13-19)22-21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-12,14-15,19H,13,16H2,1H3/b22-17+
InChIKeyYRHDBFBJTDBRMZ-OQKWZONESA-N
MW287.41 g/mol
LogP5.50
Rot. Bonds4

About N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine

N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine (PubChem CID 166885812) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine
PubChem CID166885812
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine
SMILESC/C(=N\c1ccccc1Cc1ccccc1)C1C=CC=CC1
InChIInChI=1S/C21H21N/c1-17(19-12-6-3-7-13-19)22-21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-12,14-15,19H,13,16H2,1H3/b22-17+
InChIKeyYRHDBFBJTDBRMZ-OQKWZONESA-N
XLogP5.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-benzyl-5-methylbenzene-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine?
The IUPAC name of N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine (CID 166885812) is N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine.
What is the SMILES notation for N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine?
The canonical SMILES for N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine is C/C(=N\c1ccccc1Cc1ccccc1)C1C=CC=CC1.
What is the InChIKey of N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine?
The InChIKey is YRHDBFBJTDBRMZ-OQKWZONESA-N. The full InChI is InChI=1S/C21H21N/c1-17(19-12-6-3-7-13-19)22-21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-12,14-15,19H,13,16H2,1H3/b22-17+.
What are the key properties of N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine?
N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine has a molecular weight of 287.41 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine is sourced from PubChem (CID 166885812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).