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Chemical ID: 4953199
Chemical ID:
4953199
Name [?]:
2-amino-4-[1-(3-amino-4-hydroxy-phenyl)-1-methyl-ethyl]-phenol
SMILES [?]:
CC(C)(c1ccc(c(c1)N)O)c2ccc(c(c2)N)O
InChi [?]:
InChI=1/C15H18N2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,13,6,14,9,17,4,12,8,16,7,15,2,10,18,11,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)/rA:19nCCCCCCCCCNOCCCCCCNO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s7;s2;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04604 |
Area: | 443.25 |
Solvation: | -3.0352 |
Coulombic: | -67.1806 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.316 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 4 |
XLogP: | 2.05 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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