Chemical ID: 7061657

CCCN(CCC)CCOc1ccc(cc1)C(C)(C)C
Chemical ID:
7061657
Name [?]:
N-propyl-N-[2-(4-tert-butylphenoxy)ethyl]propan-1-amine
SMILES [?]:
CCCN(CCC)CCOc1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C18H31NO/c1-6-12-19(13-7-2)14-15-20-17-10-8-16(9-11-17)18(3,4)5/h8-11H,6-7,12-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,18,19,20,2,6,13,15,12,16,3,5,8,9,14,11,17,4,10/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO
All Atoms:51
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5499
Area:532.406
Solvation:-2.76025
Coulombic:-14.7444
Bond Count [?]
All:20
Single:17
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.445
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.17
LogP (Chemaxon):5.02

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