Chemical ID: 7102754

CCOCCCNCc1cc(c(c(c1)Cl)OC)OC
Chemical ID:
7102754
Name [?]:
N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-3-ethoxy-propan-1-amine
SMILES [?]:
CCOCCCNCc1cc(c(c(c1)Cl)OC)OC
InChi [?]:
InChI=1/C14H22ClNO3/c1-4-19-7-5-6-16-10-11-8-12(15)14(18-3)13(9-11)17-2/h8-9,16H,4-7,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,17,2,5,6,4,14,10,8,9,13,11,12,15,7,18,16,3/rA:19nCCOCCCNCCCCCCCClOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s11;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22ClNO3
All Atoms:41
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.50913
Area:521.781
Solvation:-5.53539
Coulombic:-31.7194
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:287.782
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.31
LogP (Chemaxon):1.81

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