(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine

C23H26NOP — CID 12738710

IUPAC(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine
SMILESC[C@@H]([C@@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C23H26NOP/c1-19(24(2)3)23(20-13-7-4-8-14-20)25-26(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19,23H,1-3H3/t19-,23+/m0/s1
InChIKeySZNYXGLRVCHCMJ-WMZHIEFXSA-N
MW363.44 g/mol
LogP4.74
Rot. Bonds7

About (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine

(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine (PubChem CID 12738710) has the molecular formula C23H26NOP and a molecular weight of 363.44 g/mol. Its IUPAC name is (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine
PubChem CID12738710
Molecular FormulaC23H26NOP
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC Name(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine
SMILESC[C@@H]([C@@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C23H26NOP/c1-19(24(2)3)23(20-13-7-4-8-14-20)25-26(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19,23H,1-3H3/t19-,23+/m0/s1
InChIKeySZNYXGLRVCHCMJ-WMZHIEFXSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine (CID 12738710) is (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine is C[C@@H]([C@@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine?
The InChIKey is SZNYXGLRVCHCMJ-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H26NOP/c1-19(24(2)3)23(20-13-7-4-8-14-20)25-26(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19,23H,1-3H3/t19-,23+/m0/s1.
What are the key properties of (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine?
(1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine has a molecular weight of 363.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-diphenylphosphanyloxy-N,N-dimethyl-1-phenylpropan-2-amine is sourced from PubChem (CID 12738710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).