(1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine

C39H35NOP2 — CID 11029321

IUPAC(1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine
SMILESCN([C@H](c1ccccc1)[C@@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H35NOP2/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38-39H,1H3/t38-,39+/m1/s1
InChIKeyQUNUCIXYSHOEQS-RGULYWFUSA-N
MW595.66 g/mol
LogP8.51
Rot. Bonds11

About (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine

(1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine (PubChem CID 11029321) has the molecular formula C39H35NOP2 and a molecular weight of 595.66 g/mol. Its IUPAC name is (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine.

Molecular Properties

Compound Name(1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine
PubChem CID11029321
Molecular FormulaC39H35NOP2
Molecular Weight595.66 g/mol
Exact Mass595.22
IUPAC Name(1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine
SMILESCN([C@H](c1ccccc1)[C@@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H35NOP2/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38-39H,1H3/t38-,39+/m1/s1
InChIKeyQUNUCIXYSHOEQS-RGULYWFUSA-N
XLogP8.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.66
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
CID 139038736
(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol
CID 11954626
(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)-3-methylbutan-1-ol
CID 24882934
(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)-3-phenylpropan-1-ol
CID 24882935
(1R,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine
CID 12738709
(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine
CID 12738710
(1S,2R)-1-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-3,3-dimethyl-1-phenylbutan-2-ol
CID 101839718
(1S,2R)-1-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,4-diphenylbutan-2-ol
CID 101839719
(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine
CID 134885420
(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol
CID 134940746
(2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
CID 134940855
(2S,4S,5R)-4-methyl-5-phenyl-2-prop-2-enyl-3-trityl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 134978077

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
The IUPAC name of (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine (CID 11029321) is (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine.
What is the SMILES notation for (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
The canonical SMILES for (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine is CN([C@H](c1ccccc1)[C@@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
The InChIKey is QUNUCIXYSHOEQS-RGULYWFUSA-N. The full InChI is InChI=1S/C39H35NOP2/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38-39H,1H3/t38-,39+/m1/s1.
What are the key properties of (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
(1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine has a molecular weight of 595.66 g/mol, XLogP of 8.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine is sourced from PubChem (CID 11029321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).