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Chemical ID: 4586471
Chemical ID:
4586471
Name [?]:
1-diphenylamino-3-(2-hydroxyethyl-methyl-amino)-propan-2-ol
SMILES [?]:
CN(CCO)CC(CN(c1ccccc1)c2ccccc2)O
InChi [?]:
InChI=1/C18H24N2O2/c1-19(12-13-21)14-18(22)15-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,21-22H,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,19,12,14,18,20,11,15,17,21,3,4,6,8,10,16,7,2,9,5,22/E:(2,3)(4,5,6,7)(8,9,10,11)(16,17)/rA:22cCNCCOCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s2;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.06683 |
Area: | 514.655 |
Solvation: | -4.79954 |
Coulombic: | -45.5082 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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