Chemical ID: 7102436

CC(C)(C)NCc1cccc(c1OC)OC
Chemical ID:
7102436
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1cccc(c1OC)OC
InChi [?]:
InChI=1/C13H21NO2/c1-13(2,3)14-9-10-7-6-8-11(15-4)12(10)16-5/h6-8,14H,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,14,9,8,10,6,7,11,12,2,5,15,13/E:(1,2,3)/rA:16nCCCCNCCCCCCCOCOC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s11;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO2
All Atoms:37
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.61718
Area:406.747
Solvation:-3.55151
Coulombic:-24.4776
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.4
LogP (Chemaxon):1.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue