Chemical ID: 4412085

CCCCNCCCOc1ccc(cc1C)C(C)(C)C
Chemical ID:
4412085
Name [?]:
N-[3-(2-methyl-4-tert-butyl-phenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccc(cc1C)C(C)(C)C
InChi [?]:
InChI=1/C18H31NO/c1-6-7-11-19-12-8-13-20-17-10-9-16(14-15(17)2)18(3,4)5/h9-10,14,19H,6-8,11-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,16,18,19,20,2,3,7,12,11,4,6,8,14,15,13,10,17,5,9/E:(3,4,5)/rA:20nCCCCNCCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.4017
Area:544.218
Solvation:-2.20377
Coulombic:-18.9215
Bond Count [?]
All:20
Single:17
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.3
LogP (Chemaxon):4.77

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