(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine

C28H24NO2P — CID 101481551

IUPAC(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
SMILESCOc1ccc([C@H](C#Cc2ccccc2)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24NO2P/c1-31-25-20-18-24(19-21-25)28(22-17-23-11-5-2-6-12-23)29-32(30,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,18-21,28H,1H3,(H,29,30)/t28-/m0/s1
InChIKeyJSNAFAPJUHLLDO-NDEPHWFRSA-N
MW437.48 g/mol
LogP5.31
Rot. Bonds6

About (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine

(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine (PubChem CID 101481551) has the molecular formula C28H24NO2P and a molecular weight of 437.48 g/mol. Its IUPAC name is (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound Name(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
PubChem CID101481551
Molecular FormulaC28H24NO2P
Molecular Weight437.48 g/mol
Exact Mass437.15
IUPAC Name(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
SMILESCOc1ccc([C@H](C#Cc2ccccc2)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24NO2P/c1-31-25-20-18-24(19-21-25)28(22-17-23-11-5-2-6-12-23)29-32(30,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,18-21,28H,1H3,(H,29,30)/t28-/m0/s1
InChIKeyJSNAFAPJUHLLDO-NDEPHWFRSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine
CID 101481565
(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
CID 102043230
3-[(diphenylphosphorylamino)-(4-methoxyphenyl)methyl]but-3-en-2-one
CID 12024911
1-(2-diphenylphosphorylethynyl)-4-methoxybenzene
CID 53356159
(1S,3S)-3-N-diphenylphosphoryl-1-(4-methoxyphenyl)-4-phenylbutane-1,3-diamine
CID 100962675
(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 163522190
(2S,4S)-N-diphenylphosphoryl-4-isocyano-4-(4-methoxyphenyl)-1-phenylbutan-2-amine
CID 100962663
methyl N-(1,3-diphenylprop-2-ynyl)carbamate
CID 102372923
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796

Frequently Asked Questions

What is the IUPAC name of (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine?
The IUPAC name of (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine (CID 101481551) is (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine?
The canonical SMILES for (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine is COc1ccc([C@H](C#Cc2ccccc2)NP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine?
The InChIKey is JSNAFAPJUHLLDO-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H24NO2P/c1-31-25-20-18-24(19-21-25)28(22-17-23-11-5-2-6-12-23)29-32(30,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,18-21,28H,1H3,(H,29,30)/t28-/m0/s1.
What are the key properties of (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine?
(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine has a molecular weight of 437.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 101481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).