Chemical ID: 7061761

CCCCN(CCCC)CCCOc1ccc(cc1)C
Chemical ID:
7061761
Name [?]:
N-butyl-N-[3-(4-methylphenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCCOc1ccc(cc1)C
InChi [?]:
InChI=1/C18H31NO/c1-4-6-13-19(14-7-5-2)15-8-16-20-18-11-9-17(3)10-12-18/h9-12H,4-8,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,20,2,8,3,7,11,16,18,15,19,4,6,10,12,17,14,5,13/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:20nCCCCNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO
All Atoms:51
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.6059
Area:557.594
Solvation:-2.33401
Coulombic:-15.216
Bond Count [?]
All:20
Single:17
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:277.445
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):4.71

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