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Chemical ID: 6572290
Chemical ID:
6572290
Name [?]:
2-[(1-methyl-2-phenyl-ethyl)aminomethyl]phenol
SMILES [?]:
CC(Cc1ccccc1)NCc2ccccc2O
InChi [?]:
InChI=1/C16H19NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h2-10,13,17-18H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,14,15,5,9,13,16,3,11,2,4,12,17,10,18/E:(3,4)(7,8)/rA:18cCCCCCCCCCNCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.67269 |
Area: | 431.54 |
Solvation: | -2.1158 |
Coulombic: | -27.7993 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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