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Chemical ID: 7061711
Chemical ID:
7061711
Name [?]:
N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCOc1cc(ccc1C(C)C)C
InChi [?]:
InChI=1/C17H29NO/c1-6-7-10-18(5)11-12-19-17-13-15(4)8-9-16(17)14(2)3/h8-9,13-14H,6-7,10-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,6,2,3,13,14,4,7,8,11,16,12,15,10,5,9/E:(2,3)/rA:19cCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 48 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5952 |
Area: | 502.602 |
Solvation: | -1.96989 |
Coulombic: | -15.0577 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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