Chemical ID: 7061799

CCCCN(C)CCCOc1ccc(cc1)Br
Chemical ID:
7061799
Name [?]:
N-[3-(4-bromophenoxy)propyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccc(cc1)Br
InChi [?]:
InChI=1/C14H22BrNO/c1-3-4-10-16(2)11-5-12-17-14-8-6-13(15)7-9-14/h6-9H,3-5,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,8,13,15,12,16,4,7,9,14,11,17,5,10/E:(6,7)(8,9)/rA:17cCCCCNCCCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22BrNO
All Atoms:39
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.91111
Area:488.262
Solvation:-2.29545
Coulombic:-14.2122
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.235
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):3.82

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