Chemical ID: 4440178

CCC(C)NCCOc1ccc(cc1)Br
Chemical ID:
4440178
Name [?]:
N-[2-(4-bromophenoxy)ethyl]butan-2-amine
SMILES [?]:
CCC(C)NCCOc1ccc(cc1)Br
InChi [?]:
InChI=1/C12H18BrNO/c1-3-10(2)14-8-9-15-12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,11,13,10,14,6,7,3,12,9,15,5,8/E:(4,5)(6,7)/rA:15cCCCCNCCOCCCCCCBr/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.24156
Area:433.005
Solvation:-2.58356
Coulombic:-17.1342
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.181
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):3.43

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