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Chemical ID: 4441725
Chemical ID:
4441725
Name [?]:
4-(2-methoxy-4-methyl-phenoxy)-N,N-dimethyl-butan-1-amine
SMILES [?]:
Cc1ccc(c(c1)OC)OCCCCN(C)C
InChi [?]:
InChI=1/C14H23NO2/c1-12-7-8-13(14(11-12)16-4)17-10-6-5-9-15(2)3/h7-8,11H,5-6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,17,9,13,12,3,4,14,11,7,2,5,6,15,8,10/E:(2,3)/rA:17nCCCCCCCOCOCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;s12;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21935 |
Area: | 465.361 |
Solvation: | -4.41467 |
Coulombic: | -20.0651 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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