Chemical ID: 4574721

CC(C)C(CCNCc1ccc(cc1)OC)C2CCOC(C2)(C)C
Chemical ID:
4574721
Name [?]:
3-(2,2-dimethyltetrahydropyran-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methyl-pentan-1-amine
SMILES [?]:
CC(C)C(CCNCc1ccc(cc1)OC)C2CCOC(C2)(C)C
InChi [?]:
InChI=1/C21H35NO2/c1-16(2)20(18-11-13-24-21(3,4)14-18)10-12-22-15-17-6-8-19(23-5)9-7-17/h6-9,16,18,20,22H,10-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,23,24,16,10,14,11,13,5,18,6,19,22,8,2,9,17,12,4,21,7,15,20/E:(1,2)(3,4)(6,7)(8,9)/rA:24cCCCCCCNCCCCCCCOCCCCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s4;s17;s18;s19;s20;s17s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H35NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.5402
Area:579.327
Solvation:-3.94299
Coulombic:-26.1503
Bond Count [?]
All:25
Single:22
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.508
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.17
LogP (Chemaxon):3.84

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