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Chemical ID: 4294801
Chemical ID:
4294801
Name [?]:
N-[3-(4-tert-butylphenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-5-6-12-18-13-7-14-19-16-10-8-15(9-11-16)17(2,3)4/h8-11,18H,5-7,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,2,3,7,12,14,11,15,4,6,8,13,10,16,5,9/E:(2,3,4)(8,9)(10,11)/rA:19nCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7802 |
Area: | 521.074 |
Solvation: | -2.24665 |
Coulombic: | -19.0034 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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