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Chemical ID: 6678576
Chemical ID:
6678576
Name [?]:
2-(diethylaminomethyl)-3,6-dimethyl-phenol
SMILES [?]:
CCN(CC)Cc1c(ccc(c1O)C)C
InChi [?]:
InChI=1/C13H21NO/c1-5-14(6-2)9-12-10(3)7-8-11(4)13(12)15/h7-8,15H,5-6,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,15,14,2,4,9,10,6,8,11,7,12,3,13/E:(1,2)(5,6)/rA:15nCCNCCCCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s11;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05667 |
Area: | 391.318 |
Solvation: | -1.72629 |
Coulombic: | -22.3362 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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