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1-[(3,3-Diphenylpropyl)Methylamino]-2-Methyl-2-Propanol
CAS: 100442-33-9 | C20H27NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100442-33-9
Molecular Formula:
C20H27NO
Molecular Mass:
297.44 g/mol
Names and Synonyms:
1-[(3,3-Diphenylpropyl)Methylamino]-2-Methyl-2-Propanol
2-Propanol, 1-[(3,3-diphenylpropyl)methylamino]-2-methyl-
1-[(3,3-Diphenylpropyl)methylamino]-2-methyl-2-propanol
2,N-Dimethyl-N-(3,3-diphenylpropyl)-1-amino-2-propanol
Identifiers:
SMILES:
CN(CCC(c1ccccc1)c1ccccc1)CC(C)(C)O
InChI:
InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 |
|---|
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 | 297.44 g/mol | CAS Common Chemistry |
| 297.442 g/mol | RDKit | |
| 297.209264484 g/mol | RDKit | |
| Canonical SMILES | OC(C)(C)CN(C)CCC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MQWDISMNBYOLAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[(3,3-Diphenylpropyl)methylamino]-2-methyl-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 3.911300000000003 | RDKit |
| Molar Refractivity | 93.13880000000007 | RDKit |
