Chemical ID: 4958067

c1ccc(c(c1)CNCCNCc2ccccc2O)O
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

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