(E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine

C33H36NOP — CID 44592592

IUPAC(E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine
SMILESCCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H36NOP/c1-3-5-16-29(15-4-2)33(30-25-23-28(24-26-30)27-17-9-6-10-18-27)34-36(35,31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-14,16-26,33H,3-5,15H2,1-2H3,(H,34,35)/b29-16+/t33-/m1/s1
InChIKeyYUEZTTHPMSNKBV-WQFGXGDVSA-N
MW493.63 g/mol
LogP8.44
Rot. Bonds11

About (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine

(E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine (PubChem CID 44592592) has the molecular formula C33H36NOP and a molecular weight of 493.63 g/mol. Its IUPAC name is (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine.

Molecular Properties

Compound Name(E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine
PubChem CID44592592
Molecular FormulaC33H36NOP
Molecular Weight493.63 g/mol
Exact Mass493.25
IUPAC Name(E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine
SMILESCCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H36NOP/c1-3-5-16-29(15-4-2)33(30-25-23-28(24-26-30)27-17-9-6-10-18-27)34-36(35,31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-14,16-26,33H,3-5,15H2,1-2H3,(H,34,35)/b29-16+/t33-/m1/s1
InChIKeyYUEZTTHPMSNKBV-WQFGXGDVSA-N
XLogP8.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-1-(2-(Diphenylphosphino)phenyl)ethanamine
CID 57514668
(1R)-N-diphenylphosphoryl-1-[(1R,2S)-2-ethenyl-1-methylcyclopropyl]-1-phenylmethanamine
CID 5461301
(E,1R)-N-diphenylphosphoryl-3-methyl-1-phenylhept-2-en-1-amine
CID 5461338
(2E)-2-(cyclohexylmethylidene)-N-diphenylphosphoryl-1-phenylbutan-1-amine
CID 5461314
N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine
CID 53300687
(1R)-N-diphenylphosphoryl-1-phenylethanamine
CID 10615740
P,P-Diphenyl-N-(1-phenylethyl)phosphinic amide
CID 376265
(1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine
CID 46177587
(R)-1-(2-(Diphenylphosphino)phenyl)ethanamine
CID 71463645
(1S)-N-diphenylphosphoryl-1-[(1R,2S)-2-ethenyl-2-methylcyclopropyl]-1-phenylmethanamine
CID 5461316
(E,1R)-N-diphenylphosphoryl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 44592591
(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine
CID 44592612

Frequently Asked Questions

What is the IUPAC name of (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine?
The IUPAC name of (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine (CID 44592592) is (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine.
What is the SMILES notation for (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine?
The canonical SMILES for (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine is CCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine?
The InChIKey is YUEZTTHPMSNKBV-WQFGXGDVSA-N. The full InChI is InChI=1S/C33H36NOP/c1-3-5-16-29(15-4-2)33(30-25-23-28(24-26-30)27-17-9-6-10-18-27)34-36(35,31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-14,16-26,33H,3-5,15H2,1-2H3,(H,34,35)/b29-16+/t33-/m1/s1.
What are the key properties of (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine?
(E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine has a molecular weight of 493.63 g/mol, XLogP of 8.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-N-diphenylphosphoryl-1-(4-phenylphenyl)-2-propylhex-2-en-1-amine is sourced from PubChem (CID 44592592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).