Chemical ID: 4293569

CCCCNCCCCCCOc1c(cc(cc1C)C)C
Chemical ID:
4293569
Name [?]:
N-butyl-6-(2,4,6-trimethylphenoxy)-hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1c(cc(cc1C)C)C
InChi [?]:
InChI=1/C19H33NO/c1-5-6-11-20-12-9-7-8-10-13-21-19-17(3)14-16(2)15-18(19)4/h14-15,20H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,2,3,8,9,7,10,4,6,11,17,15,16,18,14,13,5,12/E:(3,4)(14,15)(17,18)/rA:21nCCCCNCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H33NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:12.5468
Area:582.088
Solvation:-2.00537
Coulombic:-19.1967
Bond Count [?]
All:21
Single:18
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:291.471
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.22
LogP (Chemaxon):5.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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