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Chemical ID: 4288832
Chemical ID:
4288832
Name [?]:
N-[(4-ethoxyphenyl)methyl]-3-methyl-aniline
SMILES [?]:
CCOc1ccc(cc1)CNc2cccc(c2)C
InChi [?]:
InChI=1/C16H19NO/c1-3-18-16-9-7-14(8-10-16)12-17-15-6-4-5-13(2)11-15/h4-11,17H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,14,15,13,6,8,5,9,17,10,16,7,12,4,11,3/E:(7,8)(9,10)/rA:18nCCOCCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08523 |
Area: | 461.533 |
Solvation: | -2.45308 |
Coulombic: | -21.2837 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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