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Chemical ID: 5012147
Chemical ID:
5012147
Name [?]:
N,N-dimethyl-3,3-diphenyl-propan-1-amine
SMILES [?]:
CN(C)CCC(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,16,9,11,15,17,8,12,14,18,5,4,7,13,6,2/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(15,16)/rA:18nCNCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s6;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77272 |
Area: | 451.639 |
Solvation: | -1.51827 |
Coulombic: | -8.96234 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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