Chemical ID: 4222751

Cc1cc(c(c(c1)C)OCCCCNC(C)(C)C)C
Chemical ID:
4222751
Name [?]:
N-tert-butyl-4-(2,4,6-trimethylphenoxy)-butan-1-amine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCCCNC(C)(C)C)C
InChi [?]:
InChI=1/C17H29NO/c1-13-11-14(2)16(15(3)12-13)19-10-8-7-9-18-17(4,5)6/h11-12,18H,7-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,19,16,17,18,12,11,13,10,7,3,2,6,4,5,15,14,9/E:(2,3)(4,5,6)(11,12)(14,15)/rA:19nCCCCCCCCOCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.773
Area:507.735
Solvation:-1.9204
Coulombic:-18.0224
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.46
LogP (Chemaxon):4.15

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