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Chemical ID: 5612014
Chemical ID:
5612014
Name [?]:
N-(3,3-diphenylpropyl)-1-phenyl-propan-2-amine
SMILES [?]:
CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,17,23,6,8,16,18,22,24,5,9,15,19,21,25,12,11,3,2,4,14,20,13,10/E:(3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(22,23)/rA:25cCCCCCCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s13;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7554 |
Area: | 582.066 |
Solvation: | -1.79628 |
Coulombic: | -14.712 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.87 |
LogP (Chemaxon): | 6.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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