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Chemical ID: 4729343
Chemical ID:
4729343
Name [?]:
4-(benzyl-methyl-amino)-2,3,3-trimethyl-butan-2-ol
SMILES [?]:
CC(C)(CN(C)Cc1ccccc1)C(C)(C)O
InChi [?]:
InChI=1/C15H25NO/c1-14(2,15(3,4)17)12-16(5)11-13-9-7-6-8-10-13/h6-10,17H,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,6,11,10,12,9,13,7,4,8,2,14,5,17/E:(1,2)(3,4)(7,8)(9,10)/rA:17cCCCCNCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s5;s7;s8;d9;s10;d11;d8s12;s2;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.54303 |
Area: | 426.512 |
Solvation: | -2.11976 |
Coulombic: | -24.2862 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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