N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine

C21H17Cl2N — CID 22483135

IUPACN-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
SMILESCC(/N=C/c1cccc(-c2ccccc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H17Cl2N/c1-15(21-19(22)11-6-12-20(21)23)24-14-16-7-5-10-18(13-16)17-8-3-2-4-9-17/h2-15H,1H3/b24-14+
InChIKeyYVQCTLKXVDIVHI-ZVHZXABRSA-N
MW354.28 g/mol
LogP6.84
Rot. Bonds4

About N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine

N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine (PubChem CID 22483135) has the molecular formula C21H17Cl2N and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
PubChem CID22483135
Molecular FormulaC21H17Cl2N
Molecular Weight354.28 g/mol
Exact Mass353.07
IUPAC NameN-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
SMILESCC(/N=C/c1cccc(-c2ccccc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H17Cl2N/c1-15(21-19(22)11-6-12-20(21)23)24-14-16-7-5-10-18(13-16)17-8-3-2-4-9-17/h2-15H,1H3/b24-14+
InChIKeyYVQCTLKXVDIVHI-ZVHZXABRSA-N
XLogP6.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.28
LogP ≤ 56.84
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-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine?
The IUPAC name of N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine (CID 22483135) is N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine.
What is the SMILES notation for N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine?
The canonical SMILES for N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine is CC(/N=C/c1cccc(-c2ccccc2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine?
The InChIKey is YVQCTLKXVDIVHI-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H17Cl2N/c1-15(21-19(22)11-6-12-20(21)23)24-14-16-7-5-10-18(13-16)17-8-3-2-4-9-17/h2-15H,1H3/b24-14+.
What are the key properties of N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine?
N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine has a molecular weight of 354.28 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine is sourced from PubChem (CID 22483135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).