Chemical ID: 7102924

CC(C)CNCc1ccc(cc1)OC
Chemical ID:
7102924
Name [?]:
N-[(4-methoxyphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccc(cc1)OC
InChi [?]:
InChI=1/C12H19NO/c1-10(2)8-13-9-11-4-6-12(14-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,8,12,9,11,4,6,2,7,10,5,13/E:(1,2)(4,5)(6,7)/rA:14nCCCCNCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO
All Atoms:33
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.6771
Area:400.064
Solvation:-2.3245
Coulombic:-17.658
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.53
LogP (Chemaxon):2.53

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