Chemical ID: 7102176

CC(C)CNCc1ccc(c(c1)OC)OC
Chemical ID:
7102176
Name [?]:
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccc(c(c1)OC)OC
InChi [?]:
InChI=1/C13H21NO2/c1-10(2)8-14-9-11-5-6-12(15-3)13(7-11)16-4/h5-7,10,14H,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,16,14,8,9,12,4,6,2,7,10,11,5,15,13/E:(1,2)/rA:16nCCCCNCCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO2
All Atoms:37
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.42794
Area:434.994
Solvation:-4.44691
Coulombic:-23.9192
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):2.28

Name Annotations

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Descriptor Annotations

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