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1-(Diphenylmethyl)-3-Azetidinamine
CAS: 40432-52-8 | C16H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40432-52-8
Molecular Formula:
C16H18N2
Molecular Mass:
238.33 g/mol
Names and Synonyms:
1-(Diphenylmethyl)-3-Azetidinamine
3-Azetidinamine, 1-(diphenylmethyl)-
1-(Diphenylmethyl)-3-azetidinamine
1-(Diphenylmethyl)-3-aminoazetidine
1-Benzhydrylazetidin-3-ylamine
3-Amino-1-(diphenylmethyl)azetidine
3-Amino-1-benzhydrylazetidine
1-Benzhydrylazetidin-3-amine
1-Benzhydryl-3-aminoazetidine
Identifiers:
SMILES:
NC1CN(C(c2ccccc2)c2ccccc2)C1
InChI:
InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 |
|---|
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 | 238.33 g/mol | CAS Common Chemistry |
| 238.33399999999997 g/mol | RDKit | |
| 238.146998576 g/mol | RDKit | |
| Canonical SMILES | NC1CN(C1)C(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LYTNNHXGUOKXFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(Diphenylmethyl)-3-azetidinamine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 2.4189 | RDKit |
| Molar Refractivity | 74.27540000000005 | RDKit |
