N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine

C23H24NOP — CID 122216192

IUPACN-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine
SMILESCC(C)(C)/N=C/c1cccc(OP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24NOP/c1-23(2,3)24-18-19-11-10-12-20(17-19)25-26(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-18H,1-3H3/b24-18+
InChIKeyMAVBWZQIOZVJAX-HKOYGPOVSA-N
MW361.43 g/mol
LogP5.33
Rot. Bonds5

About N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine

N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine (PubChem CID 122216192) has the molecular formula C23H24NOP and a molecular weight of 361.43 g/mol. Its IUPAC name is N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine
PubChem CID122216192
Molecular FormulaC23H24NOP
Molecular Weight361.43 g/mol
Exact Mass361.16
IUPAC NameN-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine
SMILESCC(C)(C)/N=C/c1cccc(OP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24NOP/c1-23(2,3)24-18-19-11-10-12-20(17-19)25-26(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-18H,1-3H3/b24-18+
InChIKeyMAVBWZQIOZVJAX-HKOYGPOVSA-N
XLogP5.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1-(3-tert-butylphenyl)methanimine
CID 22968786
(3-diphenoxyphosphanylphenoxy)-diphenylphosphane
CID 87862349
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 11242540
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
CID 10689667
N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
CID 20984551
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
CID 142114981
(NE)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 139428074

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine (CID 122216192) is N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine is CC(C)(C)/N=C/c1cccc(OP(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine?
The InChIKey is MAVBWZQIOZVJAX-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H24NOP/c1-23(2,3)24-18-19-11-10-12-20(17-19)25-26(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-18H,1-3H3/b24-18+.
What are the key properties of N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine?
N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine has a molecular weight of 361.43 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine is sourced from PubChem (CID 122216192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).