N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine

C16H18NP — CID 126635883

IUPACN-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine
SMILESCP/C(=N\c1cc(C)cc(C)c1)c1ccccc1
InChIInChI=1S/C16H18NP/c1-12-9-13(2)11-15(10-12)17-16(18-3)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-16-
InChIKeyVJLYUQJEKOPLNU-MSUUIHNZSA-N
MW255.30 g/mol
LogP4.69
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine

N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine (PubChem CID 126635883) has the molecular formula C16H18NP and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine
PubChem CID126635883
Molecular FormulaC16H18NP
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC NameN-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine
SMILESCP/C(=N\c1cc(C)cc(C)c1)c1ccccc1
InChIInChI=1S/C16H18NP/c1-12-9-13(2)11-15(10-12)17-16(18-3)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-16-
InChIKeyVJLYUQJEKOPLNU-MSUUIHNZSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine (CID 126635883) is N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine is CP/C(=N\c1cc(C)cc(C)c1)c1ccccc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine?
The InChIKey is VJLYUQJEKOPLNU-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18NP/c1-12-9-13(2)11-15(10-12)17-16(18-3)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-16-.
What are the key properties of N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine?
N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine has a molecular weight of 255.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-methylphosphanyl-1-phenylmethanimine is sourced from PubChem (CID 126635883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).