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Chemical ID: 4671740
Chemical ID:
4671740
Name [?]:
N-ethyl-4-[(4-ethylaminophenyl)methyl]aniline
SMILES [?]:
CCNc1ccc(cc1)Cc2ccc(cc2)NCC
InChi [?]:
InChI=1/C17H22N2/c1-3-18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-4-2/h5-12,18-19H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,6,8,12,16,5,9,13,15,10,7,11,4,14,3,17/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(18,19)/rA:19nCCNCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.489 |
Area: | 488.608 |
Solvation: | -1.72623 |
Coulombic: | -25.4661 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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