1,1-bis(3-methylphenyl)-N-phenylmethanimine

C21H19N — CID 59167245

IUPAC1,1-bis(3-methylphenyl)-N-phenylmethanimine
SMILESCc1cccc(C(=Nc2ccccc2)c2cccc(C)c2)c1
InChIInChI=1S/C21H19N/c1-16-8-6-10-18(14-16)21(19-11-7-9-17(2)15-19)22-20-12-4-3-5-13-20/h3-15H,1-2H3
InChIKeyUCAQAHCXWSMGLP-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.47
Rot. Bonds3

About 1,1-bis(3-methylphenyl)-N-phenylmethanimine

1,1-bis(3-methylphenyl)-N-phenylmethanimine (PubChem CID 59167245) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,1-bis(3-methylphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1,1-bis(3-methylphenyl)-N-phenylmethanimine
PubChem CID59167245
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name1,1-bis(3-methylphenyl)-N-phenylmethanimine
SMILESCc1cccc(C(=Nc2ccccc2)c2cccc(C)c2)c1
InChIInChI=1S/C21H19N/c1-16-8-6-10-18(14-16)21(19-11-7-9-17(2)15-19)22-20-12-4-3-5-13-20/h3-15H,1-2H3
InChIKeyUCAQAHCXWSMGLP-UHFFFAOYSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.47
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

1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
3-methylbenzoic acid
CID 7418
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
1-N,4-N-bis(3-methylphenyl)-1-N-phenyl-4-N-[2-[3-(N-[4-[N-phenyl-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 138701540
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
3-methylbenzoic acid;nitrous acid
CID 175097452
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-methylphenyl)-N-phenylmethanimine?
The IUPAC name of 1,1-bis(3-methylphenyl)-N-phenylmethanimine (CID 59167245) is 1,1-bis(3-methylphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1,1-bis(3-methylphenyl)-N-phenylmethanimine?
The canonical SMILES for 1,1-bis(3-methylphenyl)-N-phenylmethanimine is Cc1cccc(C(=Nc2ccccc2)c2cccc(C)c2)c1.
What is the InChIKey of 1,1-bis(3-methylphenyl)-N-phenylmethanimine?
The InChIKey is UCAQAHCXWSMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-16-8-6-10-18(14-16)21(19-11-7-9-17(2)15-19)22-20-12-4-3-5-13-20/h3-15H,1-2H3.
What are the key properties of 1,1-bis(3-methylphenyl)-N-phenylmethanimine?
1,1-bis(3-methylphenyl)-N-phenylmethanimine has a molecular weight of 285.39 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methylphenyl)-N-phenylmethanimine is sourced from PubChem (CID 59167245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).