diphenoxyphosphoryl-(4-methylphenyl)methanamine

C20H20NO3P — CID 3772373

IUPACdiphenoxyphosphoryl-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H20NO3P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15,20H,21H2,1H3
InChIKeyBUTQDDIVDZONQE-UHFFFAOYSA-N
MW353.36 g/mol
LogP5.30
Rot. Bonds6

About diphenoxyphosphoryl-(4-methylphenyl)methanamine

diphenoxyphosphoryl-(4-methylphenyl)methanamine (PubChem CID 3772373) has the molecular formula C20H20NO3P and a molecular weight of 353.36 g/mol. Its IUPAC name is diphenoxyphosphoryl-(4-methylphenyl)methanamine.

Molecular Properties

Compound Namediphenoxyphosphoryl-(4-methylphenyl)methanamine
PubChem CID3772373
Molecular FormulaC20H20NO3P
Molecular Weight353.36 g/mol
Exact Mass353.12
IUPAC Namediphenoxyphosphoryl-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H20NO3P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15,20H,21H2,1H3
InChIKeyBUTQDDIVDZONQE-UHFFFAOYSA-N
XLogP5.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenoxyphosphoryl-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 59081184
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
1-bis(4-methylphenoxy)phosphorylbutan-1-amine
CID 175188483
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
2-methylpropane;triphenyl phosphate
CID 91193965
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
[hydroxy(phenoxy)phosphoryl] bis(4-methylphenyl) phosphate
CID 87480708
1-bromo-4-[(R)-chloro(diphenoxyphosphoryl)methyl]benzene
CID 94035129
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
CID 89300438

Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphoryl-(4-methylphenyl)methanamine?
The IUPAC name of diphenoxyphosphoryl-(4-methylphenyl)methanamine (CID 3772373) is diphenoxyphosphoryl-(4-methylphenyl)methanamine.
What is the SMILES notation for diphenoxyphosphoryl-(4-methylphenyl)methanamine?
The canonical SMILES for diphenoxyphosphoryl-(4-methylphenyl)methanamine is Cc1ccc(C(N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of diphenoxyphosphoryl-(4-methylphenyl)methanamine?
The InChIKey is BUTQDDIVDZONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO3P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15,20H,21H2,1H3.
What are the key properties of diphenoxyphosphoryl-(4-methylphenyl)methanamine?
diphenoxyphosphoryl-(4-methylphenyl)methanamine has a molecular weight of 353.36 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphoryl-(4-methylphenyl)methanamine is sourced from PubChem (CID 3772373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).