(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol

C21H28N2O — CID 95889349

IUPAC(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol
SMILESCN(C)C[C@]1(O)CCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-22(2)16-21(24)13-14-23(17-21)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,24H,13-17H2,1-2H3/t21-/m1/s1
InChIKeyORUOYZONVIYIOA-OAQYLSRUSA-N
MW324.47 g/mol
LogP2.82
Rot. Bonds6

About (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol

(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol (PubChem CID 95889349) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol
PubChem CID95889349
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol
SMILESCN(C)C[C@]1(O)CCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-22(2)16-21(24)13-14-23(17-21)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,24H,13-17H2,1-2H3/t21-/m1/s1
InChIKeyORUOYZONVIYIOA-OAQYLSRUSA-N
XLogP2.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 77097788
(3S)-1-benzyl-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 124620280
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide
CID 125437167
3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
CID 70748363
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-5-phenylpentan-1-one
CID 95720649
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489897
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 77092444

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol (CID 95889349) is (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol is CN(C)C[C@]1(O)CCN(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol?
The InChIKey is ORUOYZONVIYIOA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O/c1-22(2)16-21(24)13-14-23(17-21)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,24H,13-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol?
(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol has a molecular weight of 324.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 95889349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).