Chemical ID: 7344483

CC(C(c1ccccc1)O)N(C)C(C#N)c2ccc(cc2)N(C)C
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

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