(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine

C24H26NOP — CID 10809475

IUPAC(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
SMILESCCC(/C=C/c1ccc(C)cc1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-3-22(19-18-21-16-14-20(2)15-17-21)25-27(26,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22H,3H2,1-2H3,(H,25,26)/b19-18+
InChIKeyIAXVGFJVKOJHTD-VHEBQXMUSA-N
MW375.45 g/mol
LogP5.31
Rot. Bonds7

About (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine

(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine (PubChem CID 10809475) has the molecular formula C24H26NOP and a molecular weight of 375.45 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
PubChem CID10809475
Molecular FormulaC24H26NOP
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC Name(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
SMILESCCC(/C=C/c1ccc(C)cc1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-3-22(19-18-21-16-14-20(2)15-17-21)25-27(26,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22H,3H2,1-2H3,(H,25,26)/b19-18+
InChIKeyIAXVGFJVKOJHTD-VHEBQXMUSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide
CID 138965403
(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine
CID 101267693
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
ethyl (E)-2-(dibenzylamino)-4-(4-methylphenyl)but-3-enoate
CID 135003986
(E)-1-(4-methylphenyl)pent-1-en-3-amine
CID 10583398
(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)-2-nitroethanamine
CID 101018797
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
1-[(1E,3E)-4-diphenylphosphoryl-4-(4-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 11532149
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 23420726

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine (CID 10809475) is (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine is CCC(/C=C/c1ccc(C)cc1)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine?
The InChIKey is IAXVGFJVKOJHTD-VHEBQXMUSA-N. The full InChI is InChI=1S/C24H26NOP/c1-3-22(19-18-21-16-14-20(2)15-17-21)25-27(26,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22H,3H2,1-2H3,(H,25,26)/b19-18+.
What are the key properties of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine?
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine has a molecular weight of 375.45 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine is sourced from PubChem (CID 10809475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).