Chemical ID: 7061786

COCCN(CCCOc1ccccc1Cl)CCOC
Chemical ID:
7061786
Name [?]:
3-(2-chlorophenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
SMILES [?]:
COCCN(CCCOc1ccccc1Cl)CCOC
InChi [?]:
InChI=1/C15H24ClNO3/c1-18-12-9-17(10-13-19-2)8-5-11-20-15-7-4-3-6-14(15)16/h3-4,6-7H,5,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,12,7,14,11,6,4,17,8,3,18,15,10,16,5,2,19,9/E:(1,2)(9,10)(12,13)(18,19)/rA:20nCOCCNCCCOCCCCCCClCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s5;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24ClNO3
All Atoms:44
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.24919
Area:520.782
Solvation:-5.77036
Coulombic:-27.6404
Bond Count [?]
All:20
Single:17
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:301.809
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.39
LogP (Chemaxon):2.01

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Descriptor Annotations

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