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Chemical ID: 4235677
Chemical ID:
4235677
Name [?]:
N-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-3-methoxy-propan-1-amine
SMILES [?]:
Cc1cc(ccc1C(C)C)OCCNCCCOC
InChi [?]:
InChI=1/C16H27NO2/c1-13(2)16-7-6-15(12-14(16)3)19-11-9-17-8-5-10-18-4/h6-7,12-13,17H,5,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:9,10,1,19,16,5,6,15,13,17,12,3,8,2,4,7,14,18,11/E:(1,2)/rA:19nCCCCCCCCCCOCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03651 |
Area: | 519.51 |
Solvation: | -3.95125 |
Coulombic: | -25.122 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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