(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine

C22H22NOP — CID 135078022

IUPAC(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine
SMILESC/C(=N\P(=O)(c1ccccc1C)c1ccccc1C)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-17-11-7-9-15-21(17)25(24,22-16-10-8-12-18(22)2)23-19(3)20-13-5-4-6-14-20/h4-16H,1-3H3/b23-19+
InChIKeyMAUKSQWRWJYWHC-FCDQGJHFSA-N
MW347.40 g/mol
LogP5.04
Rot. Bonds4

About (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine

(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine (PubChem CID 135078022) has the molecular formula C22H22NOP and a molecular weight of 347.40 g/mol. Its IUPAC name is (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine
PubChem CID135078022
Molecular FormulaC22H22NOP
Molecular Weight347.40 g/mol
Exact Mass347.14
IUPAC Name(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine
SMILESC/C(=N\P(=O)(c1ccccc1C)c1ccccc1C)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-17-11-7-9-15-21(17)25(24,22-16-10-8-12-18(22)2)23-19(3)20-13-5-4-6-14-20/h4-16H,1-3H3/b23-19+
InChIKeyMAUKSQWRWJYWHC-FCDQGJHFSA-N
XLogP5.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.04
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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Related Compounds

(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
[methoxy-(2-methylphenyl)phosphoryl]-phenylmethanone
CID 154332430
1-dicyclopropylphosphoryl-2-methylbenzene
CID 167253001
(2-methylphenyl)-propan-2-yloxyphosphinic acid
CID 139679819
1-diphenoxyphosphoryl-2-methylbenzene;hydroiodide
CID 87847595
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
[(E)-1-phenylethylideneamino] acetate
CID 5392489
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 13238195
4-methylbenzenesulfonic acid;N-(1-phenylethylidene)hydroxylamine
CID 87376058
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
(1-phenylethylideneamino) benzenesulfonate
CID 86155707

Frequently Asked Questions

What is the IUPAC name of (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine?
The IUPAC name of (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine (CID 135078022) is (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine.
What is the SMILES notation for (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine?
The canonical SMILES for (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine is C/C(=N\P(=O)(c1ccccc1C)c1ccccc1C)c1ccccc1.
What is the InChIKey of (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine?
The InChIKey is MAUKSQWRWJYWHC-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H22NOP/c1-17-11-7-9-15-21(17)25(24,22-16-10-8-12-18(22)2)23-19(3)20-13-5-4-6-14-20/h4-16H,1-3H3/b23-19+.
What are the key properties of (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine?
(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine has a molecular weight of 347.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine is sourced from PubChem (CID 135078022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).