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Chemical ID: 4958067
Chemical ID:
4958067
Name [?]:
2-[2-[(2-hydroxyphenyl)methylamino]ethylaminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)CNCCNCc2ccccc2O)O
InChi [?]:
InChI=1/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,17-20H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,15,2,16,6,14,3,17,9,10,7,12,5,13,4,18,8,11,20,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCNCCNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27897 |
Area: | 503.098 |
Solvation: | -3.29849 |
Coulombic: | -51.8306 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.342 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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