Chemical ID: 4413708

Cc1ccc(c(c1)OCCCNCCCOC)C(C)(C)C
Chemical ID:
4413708
Name [?]:
N-(3-methoxypropyl)-3-(5-methyl-2-tert-butyl-phenoxy)-propan-1-amine
SMILES [?]:
Cc1ccc(c(c1)OCCCNCCCOC)C(C)(C)C
InChi [?]:
InChI=1/C18H31NO2/c1-15-8-9-16(18(2,3)4)17(14-15)21-13-7-11-19-10-6-12-20-5/h8-9,14,19H,6-7,10-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,17,14,10,3,4,13,11,15,9,7,2,5,6,18,12,16,8/E:(2,3,4)/rA:21nCCCCCCCOCCCNCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s5;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0829
Area:555.857
Solvation:-3.81357
Coulombic:-25.5416
Bond Count [?]
All:21
Single:18
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:293.444
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.45

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Descriptor Annotations

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