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Chemical ID: 4988220
Chemical ID:
4988220
Name [?]:
N-(1,2-diphenylethyl)-N-phenethyl-2-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)CCN(CCc2ccccc2)C(Cc3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C30H31N/c1-5-13-26(14-6-1)21-23-31(24-22-27-15-7-2-8-16-27)30(29-19-11-4-12-20-29)25-28-17-9-3-10-18-28/h1-20,30H,21-25H2
InChi Info:
AuxInfo=1/0/N:1,15,23,29,2,6,14,16,22,24,28,30,3,5,13,17,21,25,27,31,7,11,8,10,19,4,12,20,26,18,9/E:(1,2)(5,6,7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/rA:31cCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H31N |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8509 |
Area: | 636.405 |
Solvation: | -2.05928 |
Coulombic: | -12.9195 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 405.574 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.48 |
LogP (Chemaxon): | 8.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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