ChemDB: Chemical Search
Download
Chemical ID: 4555903
Chemical ID:
4555903
Name [?]:
1-methylamino-2-phenyl-propan-2-ol
SMILES [?]:
CC(CNC)(c1ccccc1)O
InChi [?]:
InChI=1/C10H15NO/c1-10(12,8-11-2)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,9,8,10,7,11,3,6,2,4,12/E:(4,5)(6,7)/rA:12cCCCNCCCCCCCO/rB:s1;s2;s3;s4;s2;s6;d7;s8;d9;d6s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.35164 |
Area: | 340.966 |
Solvation: | -2.17251 |
Coulombic: | -27.3231 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.04 |
LogP (Chemaxon): | 1.28 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|