Chemical ID: 4235541

COCCNCCCOc1ccc(c(c1)Cl)Cl
Chemical ID:
4235541
Name [?]:
3-(3,4-dichlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILES [?]:
COCCNCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C12H17Cl2NO2/c1-16-8-6-15-5-2-7-17-10-3-4-11(13)12(14)9-10/h3-4,9,15H,2,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,12,6,4,8,3,15,10,13,14,17,16,5,2,9/rA:17nCOCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17Cl2NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.48398
Area:497.731
Solvation:-3.95929
Coulombic:-24.764
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.174
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.96
LogP (Chemaxon):2.33

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Descriptor Annotations

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