Chemical ID: 4414731

COCCCNCCCOc1ccc(c(c1)Cl)Cl
Chemical ID:
4414731
Name [?]:
N-[3-(3,4-dichlorophenoxy)propyl]-3-methoxy-propan-1-amine
SMILES [?]:
COCCCNCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO2/c1-17-8-2-6-16-7-3-9-18-11-4-5-12(14)13(15)10-11/h4-5,10,16H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,12,13,5,7,3,9,16,11,14,15,18,17,6,2,10/rA:18nCOCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19Cl2NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.05255
Area:527.446
Solvation:-4.1336
Coulombic:-24.7387
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.201
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.32
LogP (Chemaxon):2.39

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