Chemical ID: 7108508

CC(C)(C)CC(C)(C)NCc1ccccc1OC
Chemical ID:
7108508
Name [?]:
N-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1ccccc1OC
InChi [?]:
InChI=1/C16H27NO/c1-15(2,3)12-16(4,5)17-11-13-9-7-8-10-14(13)18-6/h7-10,17H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,18,13,14,12,15,10,5,11,16,2,6,9,17/E:(1,2,3)(4,5)/rA:18nCCCCCCCCNCCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO
All Atoms:45
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.73657
Area:437.17
Solvation:-2.19268
Coulombic:-17.9854
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.392
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.79
LogP (Chemaxon):3.78

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