Chemical ID: 7061662

CCCN(CCC)CCOc1ccc(cc1)Br
Chemical ID:
7061662
Name [?]:
N-[2-(4-bromophenoxy)ethyl]-N-propyl-propan-1-amine
SMILES [?]:
CCCN(CCC)CCOc1ccc(cc1)Br
InChi [?]:
InChI=1/C14H22BrNO/c1-3-9-16(10-4-2)11-12-17-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,13,15,12,16,3,5,8,9,14,11,17,4,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCNCCCCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22BrNO
All Atoms:39
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.34789
Area:481.619
Solvation:-2.69257
Coulombic:-13.7785
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.235
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):4.19

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