(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine

C28H35N2P — CID 101255158

IUPAC(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine
SMILESCN(C)[C@H](Cc1ccccc1)CN1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35N2P/c1-29(2)26(21-24-13-6-3-7-14-24)22-30-20-12-15-25(30)23-31(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,13-14,16-19,25-26H,12,15,20-23H2,1-2H3/t25-,26+/m0/s1
InChIKeyQKGNGRDCPIWGSU-IZZNHLLZSA-N
MW430.58 g/mol
LogP4.76
Rot. Bonds9

About (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine

(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine (PubChem CID 101255158) has the molecular formula C28H35N2P and a molecular weight of 430.58 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine
PubChem CID101255158
Molecular FormulaC28H35N2P
Molecular Weight430.58 g/mol
Exact Mass430.25
IUPAC Name(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine
SMILESCN(C)[C@H](Cc1ccccc1)CN1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35N2P/c1-29(2)26(21-24-13-6-3-7-14-24)22-30-20-12-15-25(30)23-31(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,13-14,16-19,25-26H,12,15,20-23H2,1-2H3/t25-,26+/m0/s1
InChIKeyQKGNGRDCPIWGSU-IZZNHLLZSA-N
XLogP4.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.76
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

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 15534450
[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
CID 53427371
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 128968185
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129478609
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide
CID 154861670
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine?
The IUPAC name of (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine (CID 101255158) is (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine is CN(C)[C@H](Cc1ccccc1)CN1CCC[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine?
The InChIKey is QKGNGRDCPIWGSU-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H35N2P/c1-29(2)26(21-24-13-6-3-7-14-24)22-30-20-12-15-25(30)23-31(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,13-14,16-19,25-26H,12,15,20-23H2,1-2H3/t25-,26+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine?
(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine has a molecular weight of 430.58 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine is sourced from PubChem (CID 101255158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).