Chemical ID: 7102809

CCCNCc1cc(c(c(c1)Cl)OC)OC
Chemical ID:
7102809
Name [?]:
N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1cc(c(c(c1)Cl)OC)OC
InChi [?]:
InChI=1/C12H18ClNO2/c1-4-5-14-8-9-6-10(13)12(16-3)11(7-9)15-2/h6-7,14H,4-5,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,2,3,11,7,5,6,10,8,9,12,4,15,13/rA:16nCCCNCCCCCCCClOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s9;s13;s8;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClNO2
All Atoms:34
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.31363
Area:445.233
Solvation:-3.81719
Coulombic:-24.6718
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.73
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.5
LogP (Chemaxon):2.4

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