Chemical ID: 7108575

CCOc1ccc(cc1OC)CNC(C)(C)CC(C)(C)C
Chemical ID:
7108575
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CCOc1ccc(cc1OC)CNC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C18H31NO2/c1-8-21-15-10-9-14(11-16(15)20-7)12-19-18(5,6)13-17(2,3)4/h9-11,19H,8,12-13H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,15,16,11,2,6,5,8,12,17,7,4,9,18,14,13,10,3/E:(2,3,4)(5,6)/rA:21nCCOCCCCCCOCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s14;s14;s14;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO2
All Atoms:52
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.66283
Area:516.061
Solvation:-4.23869
Coulombic:-24.7559
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:293.444
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):3.87

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