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Chemical ID: 6212728
Chemical ID:
6212728
Name [?]:
1-isopropylamino-3-(1-phenylpropoxy)propan-2-ol
SMILES [?]:
CCC(c1ccccc1)OCC(CNC(C)C)O
InChi [?]:
InChI=1/C15H25NO2/c1-4-15(13-8-6-5-7-9-13)18-11-14(17)10-16-12(2)3/h5-9,12,14-17H,4,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,2,7,6,8,5,9,13,11,15,4,12,3,14,18,10/E:(2,3)(6,7)(8,9)/rA:18cCCCCCCCCCOCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;s11;s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.61689 |
Area: | 484.711 |
Solvation: | -4.5009 |
Coulombic: | -34.8015 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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