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Chemical ID: 6047012
Chemical ID:
6047012
Name [?]:
2-isopropylamino-1-(p-tolyl)propan-1-ol
SMILES [?]:
Cc1ccc(cc1)C(C(C)NC(C)C)O
InChi [?]:
InChI=1/C13H21NO/c1-9(2)14-11(4)13(15)12-7-5-10(3)6-8-12/h5-9,11,13-15H,1-4H3
InChi Info:
AuxInfo=1/0/N:13,14,1,10,3,7,4,6,12,2,9,5,8,11,15/E:(1,2)(5,6)(7,8)/rA:15cCCCCCCCCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;s11;s12;s12;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.2384 |
Area: | 408.604 |
Solvation: | -1.97669 |
Coulombic: | -27.7932 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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