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Chemical ID: 5832444
Chemical ID:
5832444
Name [?]:
N,N-diethyl-4-(phenethylaminomethyl)aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)CNCCc2ccccc2
InChi [?]:
InChI=1/C19H26N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,18,20,17,21,8,10,7,11,15,14,12,16,9,6,13,3/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:21nCCNCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6391 |
Area: | 537.166 |
Solvation: | -1.79007 |
Coulombic: | -18.1613 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 282.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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