Chemical ID: 4413852

c1cc(cc(c1)Br)OCCNCCN
Chemical ID:
4413852
Name [?]:
N-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine
SMILES [?]:
c1cc(cc(c1)Br)OCCNCCN
InChi [?]:
InChI=1/C10H15BrN2O/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12/h1-3,8,13H,4-7,12H2
InChi Info:
AuxInfo=1/0/N:1,6,2,13,12,10,9,4,5,3,7,14,11,8/rA:14nCCCCCCBrOCCNCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15BrN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.95913
Area:413.327
Solvation:-2.37405
Coulombic:-29.3306
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:259.143
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.57
LogP (Chemaxon):1.41

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