Chemical ID: 4442453

CN(C)CCOc1ccccc1Br
Chemical ID:
4442453
Name [?]:
2-(2-bromophenoxy)-N,N-dimethyl-ethanamine
SMILES [?]:
CN(C)CCOc1ccccc1Br
InChi [?]:
InChI=1/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,4,5,12,7,13,2,6/E:(1,2)/rA:13nCNCCCOCCCCCCBr/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14BrNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.03841
Area:365.775
Solvation:-2.10595
Coulombic:-13.7896
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.128
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.59
LogP (Chemaxon):2.56

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Descriptor Annotations

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