Chemical ID: 4288832

CCOc1ccc(cc1)CNc2cccc(c2)C
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

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Descriptor Annotations

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