Chemical ID: 4953199

CC(C)(c1ccc(c(c1)N)O)c2ccc(c(c2)N)O
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

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