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(Αr)-N-Methyl-Α-Phenyl-1-Pyrrolidineethanamine
CAS: 136329-39-0 | C13H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
136329-39-0
Molecular Formula:
C13H20N2
Molecular Mass:
204.32 g/mol
Names and Synonyms:
(Αr)-N-Methyl-Α-Phenyl-1-Pyrrolidineethanamine
1-Pyrrolidineethanamine, N-methyl-α-phenyl-, (αR)-
1-Pyrrolidineethanamine, N-methyl-α-phenyl-, (R)-
(αR)-N-Methyl-α-phenyl-1-pyrrolidineethanamine
(R)-N-Methyl-1-phenyl-2-(1-pyrrolidinyl)ethanamine
Asimadilin
Asimadiline
(R)-N-Methyl-1-phenyl-2-(pyrrolidin-1-yl)ethanamine
1-Pyrrolidineethanamine N-methyl-α-phenyl-, (αR)-
Identifiers:
SMILES:
CN[C@@H](CN1CCCC1)c1ccccc1
InChI:
InChI=1S/C13H20N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.32 g/mol | CAS Common Chemistry |
| 204.31700000000004 g/mol | RDKit | |
| 204.16264864 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(NC)CN2CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZINZYRWMDNKTBY-ZDUSSCGKSA-N | CAS Common Chemistry |
| Name | (αR)-N-Methyl-α-phenyl-1-pyrrolidineethanamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 2.0429 | RDKit |
| Molar Refractivity | 63.91670000000005 | RDKit |
