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Chemical ID: 7108518
Chemical ID:
7108518
Name [?]:
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CCOc1ccccc1CNC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-7-19-15-11-9-8-10-14(15)12-18-17(5,6)13-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,2,7,6,8,5,10,15,9,4,16,12,11,3/E:(2,3,4)(5,6)/rA:19nCCOCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s12;s12;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 48 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59871 |
Area: | 460.095 |
Solvation: | -1.90365 |
Coulombic: | -18.8486 |
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: | 5.21 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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