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Chemical ID: 4183446
Chemical ID:
4183446
Name [?]:
2-methyl-N-[3-(4-tert-butylphenoxy)propyl]propan-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCCNC(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-16(2,3)14-8-10-15(11-9-14)19-13-7-12-18-17(4,5)6/h8-11,18H,7,12-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,18,19,13,6,10,7,9,14,12,5,8,2,16,15,11/E:(1,2,3)(4,5,6)(8,9)(10,11)/rA:19nCCCCCCCCCCOCCCNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3409 |
Area: | 502.298 |
Solvation: | -2.21651 |
Coulombic: | -18.4399 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.03 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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