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Chemical ID: 7344483
Chemical ID:
7344483
Name [?]:
2-(4-dimethylaminophenyl)-2-[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-acetonitrile
SMILES [?]:
CC(C(c1ccccc1)O)N(C)C(C#N)c2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C20H25N3O/c1-15(20(24)17-8-6-5-7-9-17)23(4)19(14-21)16-10-12-18(13-11-16)22(2)3/h5-13,15,19-20,24H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,12,7,6,8,5,9,17,21,18,20,14,2,16,4,19,13,3,15,22,11,10/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:24cCCCCCCCCCONCCCNCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;s11;s11;s13;t14;s13;s16;d17;s18;d19;d16s20;s19;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O |
All Atoms: | 49 |
Heavy Atoms: | 24 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 10.2678 |
Area: | 549.276 |
Solvation: | -3.46407 |
Coulombic: | -34.7001 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 323.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.9 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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