2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine

C17H28NO3P — CID 102449171

IUPAC2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine
SMILESCCOP(=O)(OCC)C1(C)CCCN1[C@H](C)c1ccccc1
InChIInChI=1S/C17H28NO3P/c1-5-20-22(19,21-6-2)17(4)13-10-14-18(17)15(3)16-11-8-7-9-12-16/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3/t15-,17?/m1/s1
InChIKeyAFMOUTFEJXULCQ-LDCVWXEPSA-N
MW325.39 g/mol
LogP4.83
Rot. Bonds7

About 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine

2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine (PubChem CID 102449171) has the molecular formula C17H28NO3P and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine
PubChem CID102449171
Molecular FormulaC17H28NO3P
Molecular Weight325.39 g/mol
Exact Mass325.18
IUPAC Name2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine
SMILESCCOP(=O)(OCC)C1(C)CCCN1[C@H](C)c1ccccc1
InChIInChI=1S/C17H28NO3P/c1-5-20-22(19,21-6-2)17(4)13-10-14-18(17)15(3)16-11-8-7-9-12-16/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3/t15-,17?/m1/s1
InChIKeyAFMOUTFEJXULCQ-LDCVWXEPSA-N
XLogP4.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 78011341
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 102522932
2-(methoxymethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 141285069
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
[(2R)-2-methyl-1-(1-phenylethyl)piperidin-2-yl]methyl trifluoromethanesulfonate
CID 139769243
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
cis-(1S,2S)-1-diethoxyphosphoryl-2-methyl-N-[(1R)-1-phenylethyl]cyclopropan-1-amine
CID 10781332
(3R,3aS,6aR)-3-diethoxyphosphoryl-2-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazole
CID 102413285
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
CID 117019776

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine?
The IUPAC name of 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine (CID 102449171) is 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine.
What is the SMILES notation for 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine?
The canonical SMILES for 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine is CCOP(=O)(OCC)C1(C)CCCN1[C@H](C)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine?
The InChIKey is AFMOUTFEJXULCQ-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H28NO3P/c1-5-20-22(19,21-6-2)17(4)13-10-14-18(17)15(3)16-11-8-7-9-12-16/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3/t15-,17?/m1/s1.
What are the key properties of 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine?
2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine has a molecular weight of 325.39 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine is sourced from PubChem (CID 102449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).