Chemical ID: 5829639

CCc1ccc(cc1)CN(CC)Cc2ccccc2
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

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Descriptor Annotations

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