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Chemical ID: 5829639
Chemical ID:
5829639
Name [?]:
N-benzyl-N-[(4-ethylphenyl)methyl]ethanamine
SMILES [?]:
CCc1ccc(cc1)CN(CC)Cc2ccccc2
InChi [?]:
InChI=1/C18H23N/c1-3-16-10-12-18(13-11-16)15-19(4-2)14-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,17,16,18,15,19,4,8,5,7,13,9,3,14,6,10/E:(6,7)(8,9)(10,11)(12,13)/rA:19cCCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s10;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3958 |
Area: | 477.152 |
Solvation: | -1.53297 |
Coulombic: | -8.84406 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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