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Chemical ID: 7512351
Chemical ID:
7512351
Name [?]:
N,N-diethyl-3-(2-tert-butylphenoxy)-propan-1-amine
SMILES [?]:
CCN(CC)CCCOc1ccccc1C(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-6-18(7-2)13-10-14-19-16-12-9-8-11-15(16)17(3,4)5/h8-9,11-12H,6-7,10,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,17,18,19,2,4,13,12,7,14,11,6,8,15,10,16,3,9/E:(1,2)(3,4,5)(6,7)/rA:19nCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 48 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3997 |
Area: | 497.226 |
Solvation: | -2.03097 |
Coulombic: | -14.8592 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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