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Chemical ID: 4743948
Chemical ID:
4743948
Name [?]:
N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILES [?]:
CCN(CC)Cc1c(c(c(c(c1C)C)C)C)C
InChi [?]:
InChI=1/C16H27N/c1-8-17(9-2)10-16-14(6)12(4)11(3)13(5)15(16)7/h8-10H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,5,15,14,16,13,17,2,4,6,10,11,9,12,8,7,3/E:(1,2)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:17nCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s11;s10;s9;s8;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51022 |
Area: | 427.027 |
Solvation: | -1.16544 |
Coulombic: | -5.86181 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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