Chemical ID: 4222180

CC(C)(C)NCCCCOc1cccc(c1Cl)Cl
Chemical ID:
4222180
Name [?]:
N-[4-(2,3-dichlorophenoxy)butyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCCCCOc1cccc(c1Cl)Cl
InChi [?]:
InChI=1/C14H21Cl2NO/c1-14(2,3)17-9-4-5-10-18-12-8-6-7-11(15)13(12)16/h6-8,17H,4-5,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,14,12,6,9,15,11,16,2,18,17,5,10/E:(1,2,3)/rA:18nCCCCNCCCCOCCCCCCClCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21Cl2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.3546
Area:506.047
Solvation:-2.29654
Coulombic:-18.4985
Bond Count [?]
All:18
Single:15
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.228
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):3.78

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