Chemical ID: 7102889

CC(C)CNCc1cc(c(c(c1)Cl)OC)OC
Chemical ID:
7102889
Name [?]:
N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1cc(c(c(c1)Cl)OC)OC
InChi [?]:
InChI=1/C13H20ClNO2/c1-9(2)7-15-8-10-5-11(14)13(17-4)12(6-10)16-3/h5-6,9,15H,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,15,12,8,4,6,2,7,11,9,10,13,5,16,14/E:(1,2)/rA:17nCCCCNCCCCCCCClOCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s9;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20ClNO2
All Atoms:37
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.86322
Area:465.75
Solvation:-3.78054
Coulombic:-24.9575
Bond Count [?]
All:17
Single:14
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.756
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):2.8

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Descriptor Annotations

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